Found 50 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302904
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302905
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302905
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24483
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302904
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302904
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302903
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24476
(7-methoxy-4-{[6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C22H14F3N5O2/c1-31-13-2-3-14-18(10-13)26-7-6-19(14)32-11-21-28-27-20-5-4-17(29-30(20)21)12-8-15(23)22(25)16(24)9-12/h2-10H,11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302905
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24475
(4-{[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]p...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C22H15F2N5O2/c1-30-16-2-3-17-19(11-16)25-7-6-20(17)31-12-22-27-26-21-5-4-18(28-29(21)22)13-8-14(23)10-15(24)9-13/h2-11H,12H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302902
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302903
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24470
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24474
(4-{[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]p...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C22H15F2N5O2/c1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-16(23)17(24)10-13/h2-11H,12H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302902
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302901
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302901
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM24470
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302897
((S)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b...)Show SMILES COc1ccc2c(O[C@@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302898
((R)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b...)Show SMILES COc1ccc2c(O[C@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302899
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24476
(7-methoxy-4-{[6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C22H14F3N5O2/c1-31-13-2-3-14-18(10-13)26-7-6-19(14)32-11-21-28-27-20-5-4-17(29-30(20)21)12-8-15(23)22(25)16(24)9-12/h2-10H,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302897
((S)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b...)Show SMILES COc1ccc2c(O[C@@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24470
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302900
(7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5OS/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24483
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24474
(4-{[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]p...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C22H15F2N5O2/c1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-16(23)17(24)10-13/h2-11H,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50302900
(7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5OS/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302900
(7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5OS/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24475
(4-{[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]p...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C22H15F2N5O2/c1-30-16-2-3-17-19(11-16)25-7-6-20(17)31-12-22-27-26-21-5-4-18(28-29(21)22)13-8-14(23)10-15(24)9-13/h2-11H,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302898
((R)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b...)Show SMILES COc1ccc2c(O[C@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302902
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302897
((S)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b...)Show SMILES COc1ccc2c(O[C@@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302903
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24483
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302898
((R)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b...)Show SMILES COc1ccc2c(O[C@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r| Show InChI InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302905
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302904
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24476
(7-methoxy-4-{[6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C22H14F3N5O2/c1-31-13-2-3-14-18(10-13)26-7-6-19(14)32-11-21-28-27-20-5-4-17(29-30(20)21)12-8-15(23)22(25)16(24)9-12/h2-10H,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24470
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302901
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302899
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302904
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24475
(4-{[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]p...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1 Show InChI InChI=1S/C22H15F2N5O2/c1-30-16-2-3-17-19(11-16)25-7-6-20(17)31-12-22-27-26-21-5-4-18(28-29(21)22)13-8-14(23)10-15(24)9-13/h2-11H,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM24474
(4-{[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]p...)Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C22H15F2N5O2/c1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-16(23)17(24)10-13/h2-11H,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302903
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302901
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302899
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)Show SMILES COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 Show InChI InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302905
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1 Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302902
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1 Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 6307-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH |
More data for this
Ligand-Target Pair | |
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