BindingDB logo
myBDB logout

13 similar compounds to monomer 50324337

Compile data set for download or QSAR
Wt: 380.4
BDBM50324323
Wt: 382.4
BDBM50324325
Wt: 340.4
BDBM50324326
Wt: 366.4
BDBM50324329
Wt: 326.3
BDBM50324330
Wt: 380.4
BDBM50324335
Wt: 380.4
BDBM50324336
Wt: 394.5
BDBM50324338
Wt: 394.5
BDBM50324339
Wt: 394.5
BDBM50324340
Wt: 408.5
BDBM50324341
Wt: 408.5
BDBM50324342
Wt: 381.4
BDBM50324343

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50324323,50324325,50324326,50324329,50324330,50324335,50324336,50324338,50324339,50324340,50324341,50324342,50324343   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324343
PNG
(2'-Cyclohexylamino-6-morpholin-4-yl[2,4']bipyridin...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O2/c22-21(27)16-12-18(25-20(14-16)26-8-10-28-11-9-26)15-6-7-23-19(13-15)24-17-4-2-1-3-5-17/h6-7,12-14,17H,1-5,8-11H2,(H2,22,27)(H,23,24)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50324323
PNG
(2'-Cyclohexylamino-6-piperazin-1-yl[2,4']bipyridin...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of beta-1 adrenoceptor


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324342
PNG
(2'-Cyclohexylamino-6-(3,3-dimethylpiperazin-1-yl)[...)
Show SMILES CC1(C)CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324325
PNG
(6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)[2,...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCOCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324326
PNG
(4'-tert-Butylcarbamoyl-2''-isopropylamino-3,4,5,6-...)
Show SMILES CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 438n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324326
PNG
(4'-tert-Butylcarbamoyl-2''-isopropylamino-3,4,5,6-...)
Show SMILES CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324325
PNG
(6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)[2,...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCOCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324329
PNG
(2'-Cyclopentylamino-6-piperazin-1-yl[2,4']bipyridi...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O/c21-20(27)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-5-6-23-18(12-14)24-16-3-1-2-4-16/h5-6,11-13,16,22H,1-4,7-10H2,(H2,21,27)(H,23,24)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324330
PNG
(2'-Ethylamino-6-piperazin-1-yl[2,4']bipyridinyl-4-...)
Show SMILES CCNc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324330
PNG
(2'-Ethylamino-6-piperazin-1-yl[2,4']bipyridinyl-4-...)
Show SMILES CCNc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324329
PNG
(2'-Cyclopentylamino-6-piperazin-1-yl[2,4']bipyridi...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O/c21-20(27)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-5-6-23-18(12-14)24-16-3-1-2-4-16/h5-6,11-13,16,22H,1-4,7-10H2,(H2,21,27)(H,23,24)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 202n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324323
PNG
(2'-Cyclohexylamino-6-piperazin-1-yl[2,4']bipyridin...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 77n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324323
PNG
(2'-Cyclohexylamino-6-piperazin-1-yl[2,4']bipyridin...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324339
PNG
(3-Amino-2''-cyclohexylamino-3,4,5,6-tetrahydro-2H-...)
Show SMILES NC1CCCN(C1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324340
PNG
(2'-Cyclohexylamino-6-(4-methylpiperazin-1-yl)[2,4'...)
Show SMILES CN1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 752n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324341
PNG
(Aminomethyl-2''-cyclohexylamino-3,4,5,6-tetrahydro...)
Show SMILES NCC1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324338
PNG
(2'-Cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)[...)
Show SMILES C[C@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c1-15-14-28(10-9-24-15)21-13-17(22(23)29)11-19(27-21)16-7-8-25-20(12-16)26-18-5-3-2-4-6-18/h7-8,11-13,15,18,24H,2-6,9-10,14H2,1H3,(H2,23,29)(H,25,26)/t15-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324336
PNG
(2'-Cyclohexylamino-6-((S)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324335
PNG
(2'-Cyclohexylamino-6-((R)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324336
PNG
(2'-Cyclohexylamino-6-((S)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324338
PNG
(2'-Cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)[...)
Show SMILES C[C@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c1-15-14-28(10-9-24-15)21-13-17(22(23)29)11-19(27-21)16-7-8-25-20(12-16)26-18-5-3-2-4-6-18/h7-8,11-13,15,18,24H,2-6,9-10,14H2,1H3,(H2,23,29)(H,25,26)/t15-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 831n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324341
PNG
(Aminomethyl-2''-cyclohexylamino-3,4,5,6-tetrahydro...)
Show SMILES NCC1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324340
PNG
(2'-Cyclohexylamino-6-(4-methylpiperazin-1-yl)[2,4'...)
Show SMILES CN1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324339
PNG
(3-Amino-2''-cyclohexylamino-3,4,5,6-tetrahydro-2H-...)
Show SMILES NC1CCCN(C1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324335
PNG
(2'-Cyclohexylamino-6-((R)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324323
PNG
(2'-Cyclohexylamino-6-piperazin-1-yl[2,4']bipyridin...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324325
PNG
(6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)[2,...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCOCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324326
PNG
(4'-tert-Butylcarbamoyl-2''-isopropylamino-3,4,5,6-...)
Show SMILES CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C18H24N6O/c1-12(2)22-16-10-13(3-4-21-16)15-9-14(18(19)25)11-17(23-15)24-7-5-20-6-8-24/h3-4,9-12,20H,5-8H2,1-2H3,(H2,19,25)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324329
PNG
(2'-Cyclopentylamino-6-piperazin-1-yl[2,4']bipyridi...)
Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1
Show InChI InChI=1S/C20H26N6O/c21-20(27)15-11-17(25-19(13-15)26-9-7-22-8-10-26)14-5-6-23-18(12-14)24-16-3-1-2-4-16/h5-6,11-13,16,22H,1-4,7-10H2,(H2,21,27)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324330
PNG
(2'-Ethylamino-6-piperazin-1-yl[2,4']bipyridinyl-4-...)
Show SMILES CCNc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O
Show InChI InChI=1S/C17H22N6O/c1-2-20-15-10-12(3-4-21-15)14-9-13(17(18)24)11-16(22-14)23-7-5-19-6-8-23/h3-4,9-11,19H,2,5-8H2,1H3,(H2,18,24)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324335
PNG
(2'-Cyclohexylamino-6-((R)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324336
PNG
(2'-Cyclohexylamino-6-((S)-pyrrolidin-3-ylamino)[2,...)
Show SMILES NC(=O)c1cc(N[C@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C21H28N6O/c22-21(28)15-10-18(27-20(12-15)26-17-7-8-23-13-17)14-6-9-24-19(11-14)25-16-4-2-1-3-5-16/h6,9-12,16-17,23H,1-5,7-8,13H2,(H2,22,28)(H,24,25)(H,26,27)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324338
PNG
(2'-Cyclohexylamino-6-((S)-3-methylpiperazin-1-yl)[...)
Show SMILES C[C@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c1-15-14-28(10-9-24-15)21-13-17(22(23)29)11-19(27-21)16-7-8-25-20(12-16)26-18-5-3-2-4-6-18/h7-8,11-13,15,18,24H,2-6,9-10,14H2,1H3,(H2,23,29)(H,25,26)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324339
PNG
(3-Amino-2''-cyclohexylamino-3,4,5,6-tetrahydro-2H-...)
Show SMILES NC1CCCN(C1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324340
PNG
(2'-Cyclohexylamino-6-(4-methylpiperazin-1-yl)[2,4'...)
Show SMILES CN1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C22H30N6O/c1-27-9-11-28(12-10-27)21-15-17(22(23)29)13-19(26-21)16-7-8-24-20(14-16)25-18-5-3-2-4-6-18/h7-8,13-15,18H,2-6,9-12H2,1H3,(H2,23,29)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324341
PNG
(Aminomethyl-2''-cyclohexylamino-3,4,5,6-tetrahydro...)
Show SMILES NCC1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 212n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50324342
PNG
(2'-Cyclohexylamino-6-(3,3-dimethylpiperazin-1-yl)[...)
Show SMILES CC1(C)CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 427n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50324342
PNG
(2'-Cyclohexylamino-6-(3,3-dimethylpiperazin-1-yl)[...)
Show SMILES CC1(C)CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O
Show InChI InChI=1S/C23H32N6O/c1-23(2)15-29(11-10-26-23)21-14-17(22(24)30)12-19(28-21)16-8-9-25-20(13-16)27-18-6-4-3-5-7-18/h8-9,12-14,18,26H,3-7,10-11,15H2,1-2H3,(H2,24,30)(H,25,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 by TR-FRET assay


J Med Chem 53: 5422-38 (2010)


Article DOI: 10.1021/jm100076w
BindingDB Entry DOI: 10.7270/Q2P84C2J
More data for this
Ligand-Target Pair