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PubMed code 26005523

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091353
PNG
(CHEMBL3582305)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cnc2nnc(Cc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C22H16FN7O/c1-24-21(31)16-6-5-15(11-17(16)23)19-12-26-22-28-27-20(30(22)29-19)10-13-4-7-18-14(9-13)3-2-8-25-18/h2-9,11-12H,10H2,1H3,(H,24,31)
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n/an/a 0.130n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091358
PNG
(CHEMBL3582300)
Show SMILES Fc1cc(ccc1C(=O)NCC1CCCCN1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C30H27F2N5O/c31-26-14-20(7-8-25(26)30(38)36-16-23-5-1-2-10-33-23)22-15-27(32)29-35-17-24(37(29)18-22)13-19-6-9-28-21(12-19)4-3-11-34-28/h3-4,6-9,11-12,14-15,17-18,23,33H,1-2,5,10,13,16H2,(H,36,38)
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n/an/a 0.700n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091357
PNG
(CHEMBL3582301)
Show SMILES Fc1cc(ccc1C(=O)NC1CCCNC1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C29H25F2N5O/c30-25-13-19(6-7-24(25)29(37)35-22-4-2-9-32-15-22)21-14-26(31)28-34-16-23(36(28)17-21)12-18-5-8-27-20(11-18)3-1-10-33-27/h1,3,5-8,10-11,13-14,16-17,22,32H,2,4,9,12,15H2,(H,35,37)
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n/an/a 0.900n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM163243
PNG
(US9062045, Comparator No. 1 (JNJ-38877605))
Show SMILES Cn1cc(cn1)-c1ccc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
Show InChI InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3
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n/an/a 1n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091406
PNG
(CHEMBL3582285)
Show SMILES Fc1cc(cn2c(Cc3ccc4ncccc4c3)cnc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23?,27?,28-,29?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091361
PNG
(CHEMBL3582297)
Show SMILES Fc1cc(ccc1C(=O)NCCN1CCOCC1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C30H27F2N5O2/c31-26-16-21(4-5-25(26)30(38)34-8-9-36-10-12-39-13-11-36)23-17-27(32)29-35-18-24(37(29)19-23)15-20-3-6-28-22(14-20)2-1-7-33-28/h1-7,14,16-19H,8-13,15H2,(H,34,38)
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n/an/a 2n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091360
PNG
(CHEMBL3582298)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C28H25F2N5O/c1-34(2)11-10-32-28(36)23-7-6-19(14-24(23)29)21-15-25(30)27-33-16-22(35(27)17-21)13-18-5-8-26-20(12-18)4-3-9-31-26/h3-9,12,14-17H,10-11,13H2,1-2H3,(H,32,36)
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n/an/a 2.40n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091403
PNG
(CHEMBL3582286)
Show SMILES Fc1cc(F)cc(c1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15?,16?,17?,18?,19?,20+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091399
PNG
(CHEMBL3582288)
Show SMILES COc1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17-,18-,19-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091411
PNG
(CHEMBL3582280)
Show SMILES OCCn1cc(cn1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C22H18FN5O/c23-20-10-17(18-11-26-27(13-18)6-7-29)14-28-19(12-25-22(20)28)9-15-3-4-21-16(8-15)2-1-5-24-21/h1-5,8,10-14,29H,6-7,9H2
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n/an/a 3.20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091402
PNG
(CHEMBL3582287)
Show SMILES Fc1cc(ccc1C#N)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C24H14F2N4/c25-21-10-16(4-5-18(21)12-27)19-11-22(26)24-29-13-20(30(24)14-19)9-15-3-6-23-17(8-15)2-1-7-28-23/h1-8,10-11,13-14H,9H2
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n/an/a 3.30n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091359
PNG
(CHEMBL3582299)
Show SMILES Fc1cc(ccc1C(=O)NCCCN1CCCC1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C31H29F2N5O/c32-27-17-22(7-8-26(27)31(39)35-11-4-14-37-12-1-2-13-37)24-18-28(33)30-36-19-25(38(30)20-24)16-21-6-9-29-23(15-21)5-3-10-34-29/h3,5-10,15,17-20H,1-2,4,11-14,16H2,(H,35,39)
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n/an/a 3.40n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091364
PNG
(CHEMBL3582294)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a 3.90n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM60589
PNG
(6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4...)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Show InChI InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
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n/an/a 4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396934
PNG
(CHEMBL2001019 | CHEMBL2170804 | US9062045, Compara...)
Show SMILES OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Show InChI InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
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n/an/a 4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091354
PNG
(CHEMBL3582304)
Show SMILES Fc1cc(ccc1C(=O)NC1CCOCC1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C29H24F2N4O2/c30-25-14-19(4-5-24(25)29(36)34-22-7-10-37-11-8-22)21-15-26(31)28-33-16-23(35(28)17-21)13-18-3-6-27-20(12-18)2-1-9-32-27/h1-6,9,12,14-17,22H,7-8,10-11,13H2,(H,34,36)
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n/an/a 4.20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091409
PNG
(CHEMBL3582282)
Show SMILES Fc1cc(cn2c(Cc3ccc4ncccc4c3)cnc12)-c1ccsc1
Show InChI InChI=1S/C21H14FN3S/c22-19-10-17(16-5-7-26-13-16)12-25-18(11-24-21(19)25)9-14-3-4-20-15(8-14)2-1-6-23-20/h1-8,10-13H,9H2
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n/an/a 4.30n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091355
PNG
(CHEMBL3582303)
Show SMILES Fc1cc(F)cc(CNC(=O)c2ccc(cc2F)-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
Show InChI InChI=1S/C31H20F4N4O/c32-23-9-19(10-24(33)14-23)15-38-31(40)26-5-4-20(12-27(26)34)22-13-28(35)30-37-16-25(39(30)17-22)11-18-3-6-29-21(8-18)2-1-7-36-29/h1-10,12-14,16-17H,11,15H2,(H,38,40)
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n/an/a 4.70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091408
PNG
(CHEMBL3582283)
Show SMILES Fc1cc(cn2c(Cc3ccc4ncccc4c3)cnc12)-c1ccc(nc1)C#N
Show InChI InChI=1S/C23H14FN5/c24-21-10-18(17-4-5-19(11-25)27-12-17)14-29-20(13-28-23(21)29)9-15-3-6-22-16(8-15)2-1-7-26-22/h1-8,10,12-14H,9H2
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n/an/a 5.60n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(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)
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n/an/a 6n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091368
PNG
(CHEMBL3582290)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H19FN4O/c1-27-25(31)19-5-2-4-17(12-19)20-13-22(26)24-29-14-21(30(24)15-20)11-16-7-8-23-18(10-16)6-3-9-28-23/h2-10,12-15H,11H2,1H3,(H,27,31)
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n/an/a 6n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091412
PNG
(CHEMBL3582279)
Show SMILES Cn1cc(cn1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C21H16FN5/c1-26-12-17(10-25-26)16-9-19(22)21-24-11-18(27(21)13-16)8-14-4-5-20-15(7-14)3-2-6-23-20/h2-7,9-13H,8H2,1H3
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n/an/a 7.80n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091356
PNG
(CHEMBL3582302)
Show SMILES Fc1cc(ccc1C(=O)NCc1ccccn1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C30H21F2N5O/c31-26-14-20(7-8-25(26)30(38)36-16-23-5-1-2-10-33-23)22-15-27(32)29-35-17-24(37(29)18-22)13-19-6-9-28-21(12-19)4-3-11-34-28/h1-12,14-15,17-18H,13,16H2,(H,36,38)
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n/an/a 8.30n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091369
PNG
(CHEMBL3582289)
Show SMILES CCO\N=C(/C)c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C21H19FN4O/c1-3-27-25-14(2)17-11-19(22)21-24-12-18(26(21)13-17)10-15-6-7-20-16(9-15)5-4-8-23-20/h4-9,11-13H,3,10H2,1-2H3/b25-14+
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n/an/a 9.70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091410
PNG
(CHEMBL3582281)
Show SMILES Fc1cc(cn2c(Cc3ccc4ncccc4c3)cnc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H23FN6/c26-23-12-19(20-13-30-32(16-20)21-5-8-27-9-6-21)15-31-22(14-29-25(23)31)11-17-3-4-24-18(10-17)2-1-7-28-24/h1-4,7,10,12-16,21,27H,5-6,8-9,11H2
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091365
PNG
(CHEMBL3582293)
Show SMILES CNC(=O)c1ccc(cc1OC)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C26H21FN4O2/c1-28-26(32)21-7-6-17(13-24(21)33-2)19-12-22(27)25-30-14-20(31(25)15-19)11-16-5-8-23-18(10-16)4-3-9-29-23/h3-10,12-15H,11H2,1-2H3,(H,28,32)
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n/an/a 11n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091366
PNG
(CHEMBL3582292)
Show SMILES CNC(=O)c1cc(ccc1Cl)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18ClFN4O/c1-28-25(32)20-11-16(5-6-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a 13n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091407
PNG
(CHEMBL3582284)
Show SMILES Fc1cc(cn2c(Cc3ccc4ncccc4c3)cnc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H22FN5O/c27-23-14-21(20-4-6-25(29-15-20)31-8-10-33-11-9-31)17-32-22(16-30-26(23)32)13-18-3-5-24-19(12-18)2-1-7-28-24/h1-7,12,14-17H,8-11,13H2
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n/an/a 15n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091367
PNG
(CHEMBL3582291)
Show SMILES CNC(=O)c1cc(ccc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18F2N4O/c1-28-25(32)20-11-16(5-6-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a 16n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091363
PNG
(CHEMBL3582295)
Show SMILES Fc1cc(ccc1C(=O)N1CCC2(COC2)C1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C30H24F2N4O2/c31-25-12-20(4-5-24(25)29(37)35-9-7-30(16-35)17-38-18-30)22-13-26(32)28-34-14-23(36(28)15-22)11-19-3-6-27-21(10-19)2-1-8-33-27/h1-6,8,10,12-15H,7,9,11,16-18H2
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n/an/a 21n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091362
PNG
(CHEMBL3582296)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C29H25F2N5O/c1-34-9-11-35(12-10-34)29(37)24-6-5-20(15-25(24)30)22-16-26(31)28-33-17-23(36(28)18-22)14-19-4-7-27-21(13-19)3-2-8-32-27/h2-8,13,15-18H,9-12,14H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091413
PNG
(CHEMBL3582273)
Show SMILES Cn1cc(cn1)-c1cc(Cl)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C21H16ClN5/c1-26-12-17(10-25-26)16-9-19(22)21-24-11-18(27(21)13-16)8-14-4-5-20-15(7-14)3-2-6-23-20/h2-7,9-13H,8H2,1H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase MER


(Homo sapiens)
BDBM50091364
PNG
(CHEMBL3582294)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50091364
PNG
(CHEMBL3582294)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50091364
PNG
(CHEMBL3582294)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50091364
PNG
(CHEMBL3582294)
Show SMILES CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C25H18F2N4O/c1-28-25(32)20-6-5-16(11-21(20)26)18-12-22(27)24-30-13-19(31(24)14-18)10-15-4-7-23-17(9-15)3-2-8-29-23/h2-9,11-14H,10H2,1H3,(H,28,32)
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n/an/a 9.36E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%