BindingDB logo
myBDB logout

14 similar compounds to monomer 50184807

Wt: 370.3
BDBM50184808
Purchase
Wt: 432.4
BDBM50184809
Wt: 425.4
BDBM50184811
Wt: 437.5
BDBM50184812
Wt: 400.4
BDBM50184813
Wt: 312.2
BDBM50184816
Purchase
Wt: 423.4
BDBM50184817
Wt: 437.5
BDBM50184818
Wt: 447.4
BDBM50184821
Wt: 427.4
BDBM50371875
Wt: 441.4
BDBM50371876
Purchase
Wt: 483.5
BDBM50371877
Wt: 357.3
BDBM50377366
Wt: 371.3
BDBM50377367

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50184808,50184809,50184811,50184812,50184813,50184816,50184817,50184818,50184821,50371875,50371876,50371877,50377366,50377367   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184808
PNG
((S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50377367
PNG
(CHEMBL256116)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3cnc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C18H18FN5O3/c1-9-4-12-15(19)13(5-20-17(12)23-9)27-18-16-11(3)14(26-7-10(2)25)6-24(16)22-8-21-18/h4-6,8,10,25H,7H2,1-3H3,(H,20,23)/t10-/m1/s1
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 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184809
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184812
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES CN1CCC(CCOc2cn3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3c2C)CC1
Show InChI InChI=1S/C24H28FN5O2/c1-15-12-18-19(28-15)4-5-20(22(18)25)32-24-23-16(2)21(13-30(23)27-14-26-24)31-11-8-17-6-9-29(3)10-7-17/h4-5,12-14,17,28H,6-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184811
PNG
((R)-1-(2-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCN5CC[C@H](O)C5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C22H24FN5O3/c1-13-9-16-17(26-13)3-4-18(20(16)23)31-22-21-14(2)19(11-28(21)25-12-24-22)30-8-7-27-6-5-15(29)10-27/h3-4,9,11-12,15,26,29H,5-8,10H2,1-2H3/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50184813
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C20H21FN4O4/c1-11-6-14-15(24-11)4-5-16(18(14)21)29-20-19-12(2)17(7-25(19)23-10-22-20)28-9-13(26)8-27-3/h4-7,10,13,24,26H,8-9H2,1-3H3/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hERG by patch-clamp assay


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184813
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C20H21FN4O4/c1-11-6-14-15(24-11)4-5-16(18(14)21)29-20-19-12(2)17(7-25(19)23-10-22-20)28-9-13(26)8-27-3/h4-7,10,13,24,26H,8-9H2,1-3H3/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184811
PNG
((R)-1-(2-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCN5CC[C@H](O)C5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C22H24FN5O3/c1-13-9-16-17(26-13)3-4-18(20(16)23)31-22-21-14(2)19(11-28(21)25-12-24-22)30-8-7-27-6-5-15(29)10-27/h3-4,9,11-12,15,26,29H,5-8,10H2,1-2H3/t15-/m0/s1
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 24n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50184809
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hERG by patch-clamp assay


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184816
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyr...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C16H13FN4O2/c1-8-5-10-11(20-8)3-4-13(14(10)17)23-16-15-9(2)12(22)6-21(15)19-7-18-16/h3-7,20,22H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184817
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184818
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184817
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
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 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184809
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O4S/c1-12-9-14-15(24-12)5-6-16(18(14)21)29-20-19-13(2)17(10-25(19)23-11-22-20)28-7-4-8-30(3,26)27/h5-6,9-11,24H,4,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184821
PNG
(CHEMBL206545 | N-(3-(4-(4-fluoro-2-methyl-1H-indol...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H22FN5O4S/c1-12-9-14-15(25-12)5-6-16(18(14)21)30-20-19-13(2)17(10-26(19)23-11-22-20)29-8-4-7-24-31(3,27)28/h5-6,9-11,24-25H,4,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184813
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C20H21FN4O4/c1-11-6-14-15(24-11)4-5-16(18(14)21)29-20-19-12(2)17(7-25(19)23-10-22-20)28-9-13(26)8-27-3/h4-7,10,13,24,26H,8-9H2,1-3H3/t13-/m1/s1
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 42n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184821
PNG
(CHEMBL206545 | N-(3-(4-(4-fluoro-2-methyl-1H-indol...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C20H22FN5O4S/c1-12-9-14-15(25-12)5-6-16(18(14)21)30-20-19-13(2)17(10-26(19)23-11-22-20)29-8-4-7-24-31(3,27)28/h5-6,9-11,24-25H,4,7-8H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184812
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES CN1CCC(CCOc2cn3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3c2C)CC1
Show InChI InChI=1S/C24H28FN5O2/c1-15-12-18-19(28-15)4-5-20(22(18)25)32-24-23-16(2)21(13-30(23)27-14-26-24)31-11-8-17-6-9-29(3)10-7-17/h4-5,12-14,17,28H,6-11H2,1-3H3
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 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184818
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-...)
Show SMILES Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
Show InChI InChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3
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 17n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50184808
PNG
((S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 (unknown origin)


Drug Metab Dispos 40: 2374-80 (2012)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM50184808
PNG
((S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR-1 (unknown origin)


Drug Metab Dispos 40: 2374-80 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50371875
PNG
(CHEMBL270996)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50371875
PNG
(CHEMBL270996)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50371875
PNG
(CHEMBL270996)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50371875
PNG
(CHEMBL270996)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50371875
PNG
(CHEMBL270996)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50371875
PNG
(CHEMBL270996)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
Show InChI InChI=1S/C21H22FN5O4/c1-11-6-14-15(26-11)4-5-16(19(14)22)31-21-20-13(3)17(8-27(20)25-10-24-21)29-9-12(2)30-18(28)7-23/h4-6,8,10,12,26H,7,9,23H2,1-3H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50371876
PNG
(BMS-582664 | CHEMBL408444)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50371876
PNG
(BMS-582664 | CHEMBL408444)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50371876
PNG
(BMS-582664 | CHEMBL408444)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50371876
PNG
(BMS-582664 | CHEMBL408444)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50371876
PNG
(BMS-582664 | CHEMBL408444)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50371877
PNG
(CHEMBL408443)
Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50371877
PNG
(CHEMBL408443)
Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50371877
PNG
(CHEMBL408443)
Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50371877
PNG
(CHEMBL408443)
Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 using 7-benzyloxyresorufin


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50371876
PNG
(BMS-582664 | CHEMBL408444)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
Show InChI InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50371877
PNG
(CHEMBL408443)
Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50371877
PNG
(CHEMBL408443)
Show SMILES CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C25H30FN5O4/c1-13(2)8-18(27)25(32)34-15(4)11-33-21-10-31-23(16(21)5)24(28-12-29-31)35-20-7-6-19-17(22(20)26)9-14(3)30-19/h6-7,9-10,12-13,15,18,30H,8,11,27H2,1-5H3/t15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin


J Med Chem 51: 1976-80 (2008)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50377366
PNG
(CHEMBL255902)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3cnc4[nH]ccc4c3F)c2c1C
Show InChI InChI=1S/C17H16FN5O3/c1-9(24)7-25-13-6-23-15(10(13)2)17(21-8-22-23)26-12-5-20-16-11(14(12)18)3-4-19-16/h3-6,8-9,24H,7H2,1-2H3,(H,19,20)/t9-/m1/s1
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 27n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50184808
PNG
((S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


J Med Chem 49: 2143-6 (2006)

More data for this
Ligand-Target Pair