Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'allison' and Initial = 'tj'   

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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427143 (CHEMBL2323783) Show SMILES O=c1c2cc(CS(=O)(=O)NCc3ccccn3)ccc2ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C29H28N6O3S/c36-29-26-13-20(19-39(37,38)34-17-24-3-1-2-10-31-24)4-5-21(26)6-7-28-27(29)14-22(15-32-28)23-16-33-35(18-23)25-8-11-30-12-9-25/h1-7,10,13-16,18,25,30,34H,8-9,11-12,17,19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427138 (CHEMBL2323775 | MK-8033) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427155 (CHEMBL2323770) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccnn4)cc3c(=O)c2c1 Show InChI InChI=1S/C24H20N6O3S/c1-30-14-19(12-27-30)18-10-22-23(25-11-18)7-6-17-5-4-16(9-21(17)24(22)31)15-34(32,33)28-13-20-3-2-8-26-29-20/h2-12,14,28H,13,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50347659 (CHEMBL1802916 | MK-2461) Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427172 (CHEMBL2323777) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccc[n+]4[O-])cc3c(=O)c2c1 Show InChI InChI=1S/C25H21N5O4S/c1-29-15-20(13-27-29)19-11-23-24(26-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-35(33,34)28-14-21-4-2-3-9-30(21)32/h2-13,15,28H,14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427153 (CHEMBL2323772) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cnsc4)cc3c(=O)c2c1 Show InChI InChI=1S/C23H19N5O3S2/c1-28-12-19(11-25-28)18-7-21-22(24-10-18)5-4-17-3-2-15(6-20(17)23(21)29)14-33(30,31)27-9-16-8-26-32-13-16/h2-8,10-13,27H,9,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427151 (CHEMBL2323774) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccncc4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H21N5O3S/c1-30-15-21(14-28-30)20-11-23-24(27-13-20)5-4-19-3-2-18(10-22(19)25(23)31)16-34(32,33)29-12-17-6-8-26-9-7-17/h2-11,13-15,29H,12,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50347658 (CHEMBL1802917) Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)C1CCNCC1 |r| Show InChI InChI=1S/C28H32N6O5S/c1-33(17-24-18-38-10-11-39-24)40(36,37)32-22-4-2-19-3-5-27-26(28(35)25(19)13-22)12-20(14-30-27)21-15-31-34(16-21)23-6-8-29-9-7-23/h2-5,12-16,23-24,29,32H,6-11,17-18H2,1H3/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427154 (CHEMBL2323771) Show SMILES Cc1nccc(CNS(=O)(=O)Cc2ccc3ccc4ncc(cc4c(=O)c3c2)-c2cnn(C)c2)n1 Show InChI InChI=1S/C25H22N6O3S/c1-16-26-8-7-21(30-16)13-29-35(33,34)15-17-3-4-18-5-6-24-23(25(32)22(18)9-17)10-19(11-27-24)20-12-28-31(2)14-20/h3-12,14,29H,13,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50347681 (CHEMBL1802829) Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427156 (CHEMBL2323769) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccc4Cl)cc3c(=O)c2c1 Show InChI InChI=1S/C26H21ClN4O3S/c1-31-15-21(13-29-31)20-11-23-25(28-12-20)9-8-18-7-6-17(10-22(18)26(23)32)16-35(33,34)30-14-19-4-2-3-5-24(19)27/h2-13,15,30H,14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427157 (CHEMBL2324128) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccc(F)cc4F)cc3c(=O)c2c1 Show InChI InChI=1S/C26H20F2N4O3S/c1-32-14-20(12-30-32)19-9-23-25(29-11-19)7-5-17-3-2-16(8-22(17)26(23)33)15-36(34,35)31-13-18-4-6-21(27)10-24(18)28/h2-12,14,31H,13,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50347681 (CHEMBL1802829) Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of RON (unknown origin) by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50427138 (CHEMBL2323775 | MK-8033) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of RON (unknown origin) by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427152 (CHEMBL2323773) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccnc4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H21N5O3S/c1-30-15-21(14-28-30)20-10-23-24(27-13-20)7-6-19-5-4-17(9-22(19)25(23)31)16-34(32,33)29-12-18-3-2-8-26-11-18/h2-11,13-15,29H,12,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427144 (CHEMBL2323782) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NC4CCCCC4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H26N4O3S/c1-29-15-20(14-27-29)19-12-23-24(26-13-19)10-9-18-8-7-17(11-22(18)25(23)30)16-33(31,32)28-21-5-3-2-4-6-21/h7-15,21,28H,2-6,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427145 (CHEMBL2323781) Show SMILES CN(c1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1)S(=O)(=O)NCc1ccccn1 Show InChI InChI=1S/C25H22N6O3S/c1-30-16-19(14-28-30)18-11-23-24(27-13-18)9-7-17-6-8-21(12-22(17)25(23)32)31(2)35(33,34)29-15-20-5-3-4-10-26-20/h3-14,16,29H,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427159 (CHEMBL2324126) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccc4)cc3c(=O)c2c1 Show InChI InChI=1S/C26H22N4O3S/c1-30-16-22(15-28-30)21-12-24-25(27-14-21)10-9-20-8-7-19(11-23(20)26(24)31)17-34(32,33)29-13-18-5-3-2-4-6-18/h2-12,14-16,29H,13,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427161 (CHEMBL2324124) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)N[C@@H]4CCCC[C@H]4N)cc3c(=O)c2c1 |r| Show InChI InChI=1S/C25H27N5O3S/c1-30-14-19(13-28-30)18-11-21-23(27-12-18)9-8-17-7-6-16(10-20(17)25(21)31)15-34(32,33)29-24-5-3-2-4-22(24)26/h6-14,22,24,29H,2-5,15,26H2,1H3/t22-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086213 (CHEMBL3425734) Show SMILES Oc1cn(ccc1=O)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C17H13NO2/c19-16-9-10-18(12-17(16)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086214 (CHEMBL3425744) Show SMILES OB(O)c1cn(cc(O)c1=O)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086210 (CHEMBL3425739) Show SMILES OC(c1ccccc1)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C24H19NO3/c26-22-15-21(24(28)18-10-5-2-6-11-18)25(16-23(22)27)20-13-7-12-19(14-20)17-8-3-1-4-9-17/h1-16,24,27-28H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427138 (CHEMBL2323775 | MK-8033) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of HGF-stimulated c-MET (unknown origin) autophosphorylation at tyrosine 1349 expressed in human GTL16 cells after 2 hrs by Western blotti...				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427139 (CHEMBL2324117) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(cc3c(=O)c2c1)C(O)C(N)=O Show InChI InChI=1S/C20H16N4O3/c1-24-10-14(9-23-24)13-7-16-17(22-8-13)5-4-11-2-3-12(18(25)20(21)27)6-15(11)19(16)26/h2-10,18,25H,1H3,(H2,21,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427160 (CHEMBL2324125) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)Nc4ccccc4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H20N4O3S/c1-29-15-20(14-27-29)19-12-23-24(26-13-19)10-9-18-8-7-17(11-22(18)25(23)30)16-33(31,32)28-21-5-3-2-4-6-21/h2-15,28H,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427164 (CHEMBL2324121) Show SMILES CCCNS(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C22H22N4O3S/c1-3-8-25-30(28,29)14-15-4-5-16-6-7-21-20(22(27)19(16)9-15)10-17(11-23-21)18-12-24-26(2)13-18/h4-7,9-13,25H,3,8,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427163 (CHEMBL2324122) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCC4COCCO4)cc3c(=O)c2c1 Show InChI InChI=1S/C24H24N4O5S/c1-28-13-19(11-26-28)18-9-22-23(25-10-18)5-4-17-3-2-16(8-21(17)24(22)29)15-34(30,31)27-12-20-14-32-6-7-33-20/h2-5,8-11,13,20,27H,6-7,12,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086213 (CHEMBL3425734) Show SMILES Oc1cn(ccc1=O)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C17H13NO2/c19-16-9-10-18(12-17(16)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427158 (CHEMBL2324127) Show SMILES CC(NS(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1)c1ccccc1 Show InChI InChI=1S/C27H24N4O3S/c1-18(20-6-4-3-5-7-20)30-35(33,34)17-19-8-9-21-10-11-26-25(27(32)24(21)12-19)13-22(14-28-26)23-15-29-31(2)16-23/h3-16,18,30H,17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427162 (CHEMBL2324123) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)N[C@@H]4CCCC[C@@H]4N)cc3c(=O)c2c1 |r| Show InChI InChI=1S/C25H27N5O3S/c1-30-14-19(13-28-30)18-11-21-23(27-12-18)9-8-17-7-6-16(10-20(17)25(21)31)15-34(32,33)29-24-5-3-2-4-22(24)26/h6-14,22,24,29H,2-5,15,26H2,1H3/t22-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086220 (CHEMBL3425735) Show SMILES Cc1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15NO2/c1-13-10-17(20)18(21)12-19(13)16-9-5-8-15(11-16)14-6-3-2-4-7-14/h2-12,21H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427170 (CHEMBL2323779) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCCc4ccccn4)cc3c(=O)c2c1 Show InChI InChI=1S/C26H23N5O3S/c1-31-16-21(15-29-31)20-13-24-25(28-14-20)8-7-19-6-5-18(12-23(19)26(24)32)17-35(33,34)30-11-9-22-4-2-3-10-27-22/h2-8,10,12-16,30H,9,11,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086218 (CHEMBL3425740) Show SMILES CCCC(O)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO3/c1-2-7-19(23)18-13-20(24)21(25)14-22(18)17-11-6-10-16(12-17)15-8-4-3-5-9-15/h3-6,8-14,19,23,25H,2,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086211 (CHEMBL3425738) Show SMILES CC(O)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086211 (CHEMBL3425738) Show SMILES CC(O)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427142 (CHEMBL2324129) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(N)=O)cc3c(=O)c2c1 Show InChI InChI=1S/C20H16N4O2/c1-24-11-15(10-23-24)14-8-17-18(22-9-14)5-4-13-3-2-12(7-19(21)25)6-16(13)20(17)26/h2-6,8-11H,7H2,1H3,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086211 (CHEMBL3425738) Show SMILES CC(O)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086211 (CHEMBL3425738) Show SMILES CC(O)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50301217 (4-(4-fluoro-5-methoxy-1-(4-(trifluoromethyl)benzyl...) Show SMILES COC1=C(F)C2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:2,23| Show InChI InChI=1S/C22H23F4N3O/c1-29-12-18(28-20(29)27)21(11-13-3-5-14(6-4-13)22(24,25)26)10-9-15-16(21)7-8-17(30-2)19(15)23/h3-8,12,15-16H,9-11H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE-1				Bioorg Med Chem Lett 19: 4993-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.071 BindingDB Entry DOI: 10.7270/Q2Z31ZP8
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427171 (CHEMBL2323778) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCC4CCCCN4)cc3c(=O)c2c1 Show InChI InChI=1S/C25H27N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h5-8,10-13,15,21,26,29H,2-4,9,14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427140 (CHEMBL2324116) Show SMILES CC(C(N)=O)c1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C21H18N4O2/c1-12(21(22)27)14-4-3-13-5-6-19-18(20(26)17(13)7-14)8-15(9-23-19)16-10-24-25(2)11-16/h3-12H,1-2H3,(H2,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086212 (CHEMBL3425737) Show SMILES CC(C)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H19NO2/c1-14(2)18-12-19(22)20(23)13-21(18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50347681 (CHEMBL1802829) Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of HGF-stimulated c-MET (unknown origin) autophosphorylation at tyrosine 1349 expressed in human GTL16 cells after 2 hrs by Western blotti...				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50347657 (CHEMBL1615181) Show SMILES O=C(CCc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)C1CCNCC1)NCc1ccccn1 Show InChI InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086219 (CHEMBL3425736) Show SMILES Oc1cn(-c2cccc(c2)-c2ccccc2)c(cc1=O)-c1ccccc1 Show InChI InChI=1S/C23H17NO2/c25-22-15-21(18-10-5-2-6-11-18)24(16-23(22)26)20-13-7-12-19(14-20)17-8-3-1-4-9-17/h1-16,26H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086210 (CHEMBL3425739) Show SMILES OC(c1ccccc1)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C24H19NO3/c26-22-15-21(24(28)18-10-5-2-6-11-18)25(16-23(22)27)20-13-7-12-19(14-20)17-8-3-1-4-9-17/h1-16,24,27-28H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50086218 (CHEMBL3425740) Show SMILES CCCC(O)c1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO3/c1-2-7-19(23)18-13-20(24)21(25)14-22(18)17-11-6-10-16(12-17)15-8-4-3-5-9-15/h3-6,8-14,19,23,25H,2,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427141 (CHEMBL2324113) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(=O)NCc4ccccc4)cc3c(=O)c2c1 Show InChI InChI=1S/C27H22N4O2/c1-31-17-22(16-30-31)21-13-24-25(28-15-21)10-9-20-8-7-19(11-23(20)27(24)33)12-26(32)29-14-18-5-3-2-4-6-18/h2-11,13,15-17H,12,14H2,1H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50427167 (CHEMBL2324118) Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(N)(=O)=O)cc3c(=O)c2c1 Show InChI InChI=1S/C19H16N4O3S/c1-23-10-15(9-22-23)14-7-17-18(21-8-14)5-4-13-3-2-12(11-27(20,25)26)6-16(13)19(17)24/h2-10H,11H2,1H3,(H2,20,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay				J Med Chem 56: 2294-310 (2013) Article DOI: 10.1021/jm301619u BindingDB Entry DOI: 10.7270/Q21837VX
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Homo sapiens (Human))	BDBM50086222 (CHEMBL3425732) Show SMILES OCc1cc(=O)c(O)cn1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H15NO3/c20-12-16-10-17(21)18(22)11-19(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,20,22H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...				ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ
					More data for this Ligand-Target Pair

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