BindingDB logo
myBDB logout

PubMed code 17287122

Compile data set for download or QSAR
Found 79 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204695
PNG
(4'-[6-(4-Hydroxy-cyclohexylmethyl)-1,4-dihydroinde...)
Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1
Show InChI InChI=1S/C28H27N3O2/c32-23-8-6-20(7-9-23)19-2-4-21(5-3-19)27-26-16-22-15-18(1-10-25(22)28(26)30-29-27)17-31-13-11-24(33)12-14-31/h1-10,15,24,32-33H,11-14,16-17H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204707
PNG
(CHEMBL242754 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204697
PNG
(4'-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1...)
Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H29N3O2/c33-24-10-6-20(7-11-24)19-2-4-21(5-3-19)28-27-16-22-15-18(1-14-26(22)29(27)32-31-28)17-30-23-8-12-25(34)13-9-23/h1-7,10-11,14-15,23,25,30,33-34H,8-9,12-13,16-17H2,(H,31,32)/t23-,25-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204722
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES CN(C)CCNC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C27H26N4O2/c1-31(2)14-13-28-27(33)20-9-12-23-21(15-20)16-24-25(29-30-26(23)24)19-5-3-17(4-6-19)18-7-10-22(32)11-8-18/h3-12,15,32H,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204698
PNG
(4-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,...)
Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C24H25N3O3/c28-19-8-6-18(7-9-19)25-13-14-1-10-20-17(11-14)12-21-22(26-27-23(20)21)15-2-4-16(5-3-15)24(29)30/h1-5,10-11,18-19,25,28H,6-9,12-13H2,(H,26,27)(H,29,30)/t18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204714
PNG
(4'-{6-[(2-hydroxy-ethylamino)-methyl]-1,4-dihydro-...)
Show SMILES OCCNCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C25H23N3O2/c29-12-11-26-15-16-1-10-22-20(13-16)14-23-24(27-28-25(22)23)19-4-2-17(3-5-19)18-6-8-21(30)9-7-18/h1-10,13,26,29-30H,11-12,14-15H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204715
PNG
(4'-(6-{[(5-methyl-pyrazin-2-ylmethyl)-amino]-methy...)
Show SMILES Cc1cnc(CNCc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)cn1
Show InChI InChI=1S/C29H25N5O/c1-18-14-32-24(17-31-18)16-30-15-19-2-11-26-23(12-19)13-27-28(33-34-29(26)27)22-5-3-20(4-6-22)21-7-9-25(35)10-8-21/h2-12,14,17,30,35H,13,15-16H2,1H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204696
PNG
(4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...)
Show SMILES OC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21
Show InChI InChI=1S/C22H21N3O3/c26-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-25-7-9-28-10-8-25)1-6-18(17)21(19)24-23-20/h1-6,11H,7-10,12-13H2,(H,23,24)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204702
PNG
(4-(6-(neopentylcarbamoyl)-1,4-dihydroindeno[1,2-c]...)
Show SMILES CC(C)(C)CNC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C23H23N3O3/c1-23(2,3)12-24-21(27)15-8-9-17-16(10-15)11-18-19(25-26-20(17)18)13-4-6-14(7-5-13)22(28)29/h4-10H,11-12H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204719
PNG
(4-(6-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)-1,4-...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C24H23N3O4/c28-18-8-6-17(7-9-18)25-23(29)15-5-10-19-16(11-15)12-20-21(26-27-22(19)20)13-1-3-14(4-2-13)24(30)31/h1-5,10-11,17-18,28H,6-9,12H2,(H,25,29)(H,26,27)(H,30,31)/t17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204723
PNG
(4-(6-((neopentylamino)methyl)-1,4-dihydroindeno[1,...)
Show SMILES CC(C)(C)CNCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C23H25N3O2/c1-23(2,3)13-24-12-14-4-9-18-17(10-14)11-19-20(25-26-21(18)19)15-5-7-16(8-6-15)22(27)28/h4-10,24H,11-13H2,1-3H3,(H,25,26)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204703
PNG
(4-(6-((4-hydroxypiperidin-1-yl)methyl)-1,4-dihydro...)
Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)C(O)=O)c2)CC1
Show InChI InChI=1S/C23H23N3O3/c27-18-7-9-26(10-8-18)13-14-1-6-19-17(11-14)12-20-21(24-25-22(19)20)15-2-4-16(5-3-15)23(28)29/h1-6,11,18,27H,7-10,12-13H2,(H,24,25)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204706
PNG
(4-{6-[(cis-4-methyl-cyclohexylamino)-methyl]-1,4-d...)
Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204721
PNG
(4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYD...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204699
PNG
(4-(6-((4-hydroxypiperidin-1-yl)methyl)-1,4-dihydro...)
Show SMILES NC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C23H24N4O2/c24-23(29)16-4-2-15(3-5-16)21-20-12-17-11-14(1-6-19(17)22(20)26-25-21)13-27-9-7-18(28)8-10-27/h1-6,11,18,28H,7-10,12-13H2,(H2,24,29)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204700
PNG
(4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...)
Show SMILES NC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21
Show InChI InChI=1S/C22H22N4O2/c23-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-26-7-9-28-10-8-26)1-6-18(17)21(19)25-24-20/h1-6,11H,7-10,12-13H2,(H2,23,27)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204711
PNG
(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C24H27N3O/c1-15-2-7-19(8-3-15)25-14-16-4-11-21-18(12-16)13-22-23(26-27-24(21)22)17-5-9-20(28)10-6-17/h4-6,9-12,15,19,25,28H,2-3,7-8,13-14H2,1H3,(H,26,27)/t15-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204729
PNG
(CHEMBL397233 | [3-(4-fluoro-phenyl)-1,4-dihydro-in...)
Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C24H26FN3/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-7-19(25)8-6-17/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)/t15-,20+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 459n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204692
PNG
((1r,4r)-N-((3-(4-chlorophenyl)-1,4-dihydroindeno[1...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H26ClN3/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-7-19(25)8-6-17/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)/t15-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 481n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204704
PNG
(1-(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CC(C)=O)cc2)c1
Show InChI InChI=1S/C27H31N3O/c1-17-3-10-23(11-4-17)28-16-20-7-12-24-22(14-20)15-25-26(29-30-27(24)25)21-8-5-19(6-9-21)13-18(2)31/h5-9,12,14,17,23,28H,3-4,10-11,13,15-16H2,1-2H3,(H,29,30)/t17-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 497n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204716
PNG
(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C24H28N4O2S/c1-15-2-7-19(8-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-9-20(10-6-17)31(25,29)30/h4-6,9-12,15,19,26H,2-3,7-8,13-14H2,1H3,(H,27,28)(H2,25,29,30)/t15-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 535n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204712
PNG
(CHEMBL242735 | methyl 4-(6-(((1r,4r)-4-methylcyclo...)
Show SMILES COC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN[C@H]3CC[C@H](C)CC3)ccc-21
Show InChI InChI=1S/C26H29N3O2/c1-16-3-10-21(11-4-16)27-15-17-5-12-22-20(13-17)14-23-24(28-29-25(22)23)18-6-8-19(9-7-18)26(30)31-2/h5-9,12-13,16,21,27H,3-4,10-11,14-15H2,1-2H3,(H,28,29)/t16-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 602n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204727
PNG
((4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CO)cc2)c1
Show InChI InChI=1S/C25H29N3O/c1-16-2-9-21(10-3-16)26-14-18-6-11-22-20(12-18)13-23-24(27-28-25(22)23)19-7-4-17(15-29)5-8-19/h4-8,11-12,16,21,26,29H,2-3,9-10,13-15H2,1H3,(H,27,28)/t16-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204701
PNG
((1r,4r)-N-((3-(4-fluorophenyl)-1,4-dihydroindeno[1...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C24H26FN3/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-7-19(25)8-6-17/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)/t15-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 814n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204718
PNG
((1r,4r)-4-methyl-N-((3-p-tolyl-1,4-dihydroindeno[1...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C25H29N3/c1-16-3-8-19(9-4-16)24-23-14-20-13-18(7-12-22(20)25(23)28-27-24)15-26-21-10-5-17(2)6-11-21/h3-4,7-9,12-13,17,21,26H,5-6,10-11,14-15H2,1-2H3,(H,27,28)/t17-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 966n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204710
PNG
((1r,4r)-N-((3-(4-(aminomethyl)phenyl)-1,4-dihydroi...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CN)cc2)c1
Show InChI InChI=1S/C25H30N4/c1-16-2-9-21(10-3-16)27-15-18-6-11-22-20(12-18)13-23-24(28-29-25(22)23)19-7-4-17(14-26)5-8-19/h4-8,11-12,16,21,27H,2-3,9-10,13-15,26H2,1H3,(H,28,29)/t16-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204709
PNG
(4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(N)cc2)c1
Show InChI InChI=1S/C24H28N4/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-7-19(25)8-6-17/h4-8,11-12,15,20,26H,2-3,9-10,13-14,25H2,1H3,(H,27,28)/t15-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Sgk1


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SGK by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204724
PNG
((1r,4r)-4-methyl-N-((3-phenyl-1,4-dihydroindeno[1,...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccccc2)c1
Show InChI InChI=1S/C24H27N3/c1-16-7-10-20(11-8-16)25-15-17-9-12-21-19(13-17)14-22-23(26-27-24(21)22)18-5-3-2-4-6-18/h2-6,9,12-13,16,20,25H,7-8,10-11,14-15H2,1H3,(H,26,27)/t16-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204708
PNG
((1r,4r)-N-((3-(4-ethoxyphenyl)-1,4-dihydroindeno[1...)
Show SMILES CCOc1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN[C@H]3CC[C@H](C)CC3)ccc-21
Show InChI InChI=1S/C26H31N3O/c1-3-30-22-11-7-19(8-12-22)25-24-15-20-14-18(6-13-23(20)26(24)29-28-25)16-27-21-9-4-17(2)5-10-21/h6-8,11-14,17,21,27H,3-5,9-10,15-16H2,1-2H3,(H,28,29)/t17-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204717
PNG
(2-(4-(6-(((1s,4s)-4-methylcyclohexylamino)methyl)-...)
Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CC#N)cc2)c1
Show InChI InChI=1S/C26H28N4/c1-17-2-9-22(10-3-17)28-16-19-6-11-23-21(14-19)15-24-25(29-30-26(23)24)20-7-4-18(5-8-20)12-13-27/h4-8,11,14,17,22,28H,2-3,9-10,12,15-16H2,1H3,(H,29,30)/t17-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204720
PNG
((1r,4r)-4-methyl-N-((3-(4-(trifluoromethoxy)phenyl...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C25H26F3N3O/c1-15-2-7-19(8-3-15)29-14-16-4-11-21-18(12-16)13-22-23(30-31-24(21)22)17-5-9-20(10-6-17)32-25(26,27)28/h4-6,9-12,15,19,29H,2-3,7-8,13-14H2,1H3,(H,30,31)/t15-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.04E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204728
PNG
(4-(6-(((1r,4r)-4-hydroxycyclohexylamino)methyl)-1,...)
Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)C(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H30N4O4S/c35-24-13-11-23(12-14-24)31-18-19-6-15-26-22(16-19)17-27-28(32-33-29(26)27)20-7-9-21(10-8-20)30(36)34-39(37,38)25-4-2-1-3-5-25/h1-10,15-16,23-24,31,35H,11-14,17-18H2,(H,32,33)(H,34,36)/t23-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4.43E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.59E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EMK by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204725
PNG
(CHEMBL243399 | N-(4-(6-(((1r,4r)-4-methylcyclohexy...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C26H30N4O/c1-16-3-8-21(9-4-16)27-15-18-5-12-23-20(13-18)14-24-25(29-30-26(23)24)19-6-10-22(11-7-19)28-17(2)31/h5-7,10-13,16,21,27H,3-4,8-9,14-15H2,1-2H3,(H,28,31)(H,29,30)/t16-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.83E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCgamma by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204705
PNG
(CHEMBL396536 | N,N-dimethyl-4-(6-(((1r,4r)-4-methy...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)N(C)C)c1
Show InChI InChI=1S/C26H32N4/c1-17-4-9-21(10-5-17)27-16-18-6-13-23-20(14-18)15-24-25(28-29-26(23)24)19-7-11-22(12-8-19)30(2)3/h6-8,11-14,17,21,27H,4-5,9-10,15-16H2,1-3H3,(H,28,29)/t17-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.26E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204726
PNG
(2-(4-(6-(((1s,4s)-4-methylcyclohexylamino)methyl)-...)
Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(CC(O)=O)cc2)c1
Show InChI InChI=1S/C26H29N3O2/c1-16-2-9-21(10-3-16)27-15-18-6-11-22-20(12-18)14-23-25(28-29-26(22)23)19-7-4-17(5-8-19)13-24(30)31/h4-8,11-12,16,21,27H,2-3,9-10,13-15H2,1H3,(H,28,29)(H,30,31)/t16-,21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.47E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8.09E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aur1 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204713
PNG
(CHEMBL390627 | N-(2-hydroxyethyl)-4-(6-(((1r,4r)-4...)
Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)S(=O)(=O)NCCO)c1
Show InChI InChI=1S/C26H32N4O3S/c1-17-2-7-21(8-3-17)27-16-18-4-11-23-20(14-18)15-24-25(29-30-26(23)24)19-5-9-22(10-6-19)34(32,33)28-12-13-31/h4-6,9-11,14,17,21,27-28,31H,2-3,7-8,12-13,15-16H2,1H3,(H,29,30)/t17-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.74E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SGK by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCgamma by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKA by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKA by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SRC by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC2 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EMK by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MARKAP2 kinase by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC2 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SRC by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2 by radiometric assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204695
PNG
(4'-[6-(4-Hydroxy-cyclohexylmethyl)-1,4-dihydroinde...)
Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1
Show InChI InChI=1S/C28H27N3O2/c32-23-8-6-20(7-9-23)19-2-4-21(5-3-19)27-26-16-22-15-18(1-10-25(22)28(26)30-29-27)17-31-13-11-24(33)12-14-31/h1-10,15,24,32-33H,11-14,16-17H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.70E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cell proliferation in human HeLa cells by MTS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204707
PNG
(CHEMBL242754 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.50E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204698
PNG
(4-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,...)
Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C24H25N3O3/c28-19-8-6-18(7-9-19)25-13-14-1-10-20-17(11-14)12-21-22(26-27-23(20)21)15-2-4-16(5-3-15)24(29)30/h1-5,10-11,18-19,25,28H,6-9,12-13H2,(H,26,27)(H,29,30)/t18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204715
PNG
(4'-(6-{[(5-methyl-pyrazin-2-ylmethyl)-amino]-methy...)
Show SMILES Cc1cnc(CNCc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)cn1
Show InChI InChI=1S/C29H25N5O/c1-18-14-32-24(17-31-18)16-30-15-19-2-11-26-23(12-19)13-27-28(33-34-29(26)27)22-5-3-20(4-6-22)21-7-9-25(35)10-8-21/h2-12,14,17,30,35H,13,15-16H2,1H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.82E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cell proliferation in human HeLa cells by MTS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204695
PNG
(4'-[6-(4-Hydroxy-cyclohexylmethyl)-1,4-dihydroinde...)
Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1
Show InChI InChI=1S/C28H27N3O2/c32-23-8-6-20(7-9-23)19-2-4-21(5-3-19)27-26-16-22-15-18(1-10-25(22)28(26)30-29-27)17-31-13-11-24(33)12-14-31/h1-10,15,24,32-33H,11-14,16-17H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of G2/M cell population in human H1299 cells by FACS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 2.52E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204703
PNG
(4-(6-((4-hydroxypiperidin-1-yl)methyl)-1,4-dihydro...)
Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)C(O)=O)c2)CC1
Show InChI InChI=1S/C23H23N3O3/c27-18-7-9-26(10-8-18)13-14-1-6-19-17(11-14)12-20-21(24-25-22(19)20)15-2-4-16(5-3-15)23(28)29/h1-6,11,18,27H,7-10,12-13H2,(H,24,25)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204697
PNG
(4'-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1...)
Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H29N3O2/c33-24-10-6-20(7-11-24)19-2-4-21(5-3-19)28-27-16-22-15-18(1-14-26(22)29(27)32-31-28)17-30-23-8-12-25(34)13-9-23/h1-7,10-11,14-15,23,25,30,33-34H,8-9,12-13,16-17H2,(H,31,32)/t23-,25-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of G2/M cell population in human H1299 cells by FACS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204696
PNG
(4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...)
Show SMILES OC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21
Show InChI InChI=1S/C22H21N3O3/c26-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-25-7-9-28-10-8-25)1-6-18(17)21(19)24-23-20/h1-6,11H,7-10,12-13H2,(H,23,24)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204707
PNG
(CHEMBL242754 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of G2/M cell population in human H1299 cells by FACS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204719
PNG
(4-(6-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)-1,4-...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C24H23N3O4/c28-18-8-6-17(7-9-18)25-23(29)15-5-10-19-16(11-15)12-20-21(26-27-22(19)20)13-1-3-14(4-2-13)24(30)31/h1-5,10-11,17-18,28H,6-9,12H2,(H,25,29)(H,26,27)(H,30,31)/t17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of G2/M cell population in human H1299 cells by FACS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of G2/M cell population in human H1299 cells by FACS assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204697
PNG
(4'-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1...)
Show SMILES O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H29N3O2/c33-24-10-6-20(7-11-24)19-2-4-21(5-3-19)28-27-16-22-15-18(1-14-26(22)29(27)32-31-28)17-30-23-8-12-25(34)13-9-23/h1-7,10-11,14-15,23,25,30,33-34H,8-9,12-13,16-17H2,(H,31,32)/t23-,25-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204700
PNG
(4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...)
Show SMILES NC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21
Show InChI InChI=1S/C22H22N4O2/c23-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-26-7-9-28-10-8-26)1-6-18(17)21(19)25-24-20/h1-6,11H,7-10,12-13H2,(H2,23,27)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW620 cells by soft agar assay


Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%