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PDB code 3F82

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 3.70n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly Glu:Tyr (4:1) as substrate after 60 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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PubMed
n/an/a 3.90n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 3.90n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 4 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28030
PNG
(2-aminopyridine analogue, 9 | N-{4-[(2-amino-3-chl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
Show InChI InChI=1S/C23H15ClF2N4O3/c24-20-19(9-10-28-21(20)27)33-18-8-5-14(12-17(18)26)29-22(31)16-2-1-11-30(23(16)32)15-6-3-13(25)4-7-15/h1-12H,(H2,27,28)(H,29,31)
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Article
PubMed
n/an/a 1n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28030
PNG
(2-aminopyridine analogue, 9 | N-{4-[(2-amino-3-chl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
Show InChI InChI=1S/C23H15ClF2N4O3/c24-20-19(9-10-28-21(20)27)33-18-8-5-14(12-17(18)26)29-22(31)16-2-1-11-30(23(16)32)15-6-3-13(25)4-7-15/h1-12H,(H2,27,28)(H,29,31)
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PC cid
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28023
PNG
(N-{4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}-1-...)
Show SMILES Nc1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccn1
Show InChI InChI=1S/C23H16F2N4O3/c24-14-3-6-16(7-4-14)29-11-1-2-18(23(29)31)22(30)28-15-5-8-20(19(25)12-15)32-17-9-10-27-21(26)13-17/h1-13H,(H2,26,27)(H,28,30)
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Article
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n/an/a 4.5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor

  (309/312 > 99%)
(Homo sapiens (Human))
BDBM28023
PNG
(N-{4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}-1-...)
Show SMILES Nc1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccn1
Show InChI InChI=1S/C23H16F2N4O3/c24-14-3-6-16(7-4-14)29-11-1-2-18(23(29)31)22(30)28-15-5-8-20(19(25)12-15)32-17-9-10-27-21(26)13-17/h1-13H,(H2,26,27)(H,28,30)
PDB
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PC cid
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Article
PubMed
n/an/a 4.5n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output