Compile Data Set for Download or QSAR

Found 703 hits with Last Name = 'wang' and Initial = 'yl'   

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
Beta-lactamase TEM (Escherichia coli)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518879 (CHEMBL4450911) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C15H18BNO3S/c1-10(9-21)15(18)17-14(16(19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,19-21H,9H2,1H3,(H,17,18)/t10-,14+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518902 (CHEMBL4458011) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518878 (CHEMBL4464588) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r| Show InChI InChI=1S/C13H20BNO4S/c1-9(8-20)13(16)15-12(14(17)18)7-10-3-5-11(19-2)6-4-10/h3-6,9,12,17-18,20H,7-8H2,1-2H3,(H,15,16)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518889 (CHEMBL4560468) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1ccc(F)cc1)B(O)O |r| Show InChI InChI=1S/C12H17BFNO3S/c1-8(7-19)12(16)15-11(13(17)18)6-9-2-4-10(14)5-3-9/h2-5,8,11,17-19H,6-7H2,1H3,(H,15,16)/t8-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518901 (CHEMBL4468952) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccccc1 |r| Show InChI InChI=1S/C11H16BNO3S/c1-8(7-17)11(14)13-10(12(15)16)9-5-3-2-4-6-9/h2-6,8,10,15-17H,7H2,1H3,(H,13,14)/t8-,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518882 (CHEMBL4471138) Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS |r| Show InChI InChI=1S/C12H14BNO4S/c15-12(7-19)14-11(13(16)17)5-8-6-18-10-4-2-1-3-9(8)10/h1-4,6,11,16-17,19H,5,7H2,(H,14,15)/t11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518890 (CHEMBL4439726) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r| Show InChI InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518907 (CHEMBL4472399) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518892 (CHEMBL4453017) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518895 (CHEMBL4454286) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518887 (CHEMBL4527309) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CCS |r| Show InChI InChI=1S/C11H16BNO3S/c14-11(6-7-17)13-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10,15-17H,6-8H2,(H,13,14)/t10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518906 (CHEMBL4444728) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CS |r| Show InChI InChI=1S/C10H14BNO3S/c13-10(7-16)12-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9,14-16H,6-7H2,(H,12,13)/t9-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518899 (CHEMBL4460555) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)NCc1ccccc1 |r| Show InChI InChI=1S/C18H23BN2O3S/c22-18(16(13-25)20-12-15-9-5-2-6-10-15)21-17(19(23)24)11-14-7-3-1-4-8-14/h1-10,16-17,20,23-25H,11-13H2,(H,21,22)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518891 (CHEMBL4460127) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1coc2ccccc12)B(O)O |r| Show InChI InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518886 (CHEMBL4471673) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)N1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C19H19BN2O5S/c23-17(21-16(20(26)27)10-12-6-2-1-3-7-12)15(11-28)22-18(24)13-8-4-5-9-14(13)19(22)25/h1-9,15-16,26-28H,10-11H2,(H,21,23)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518881 (CHEMBL4455145) Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CCS |r| Show InChI InChI=1S/C13H16BNO4S/c16-13(5-6-20)15-12(14(17)18)7-9-8-19-11-4-2-1-3-10(9)11/h1-4,8,12,17-18,20H,5-7H2,(H,15,16)/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518884 (CHEMBL4588584) Show SMILES CCC(=O)NCB(O)O Show InChI InChI=1S/C4H10BNO3/c1-2-4(7)6-3-5(8)9/h8-9H,2-3H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518897 (CHEMBL4450628) Show SMILES C[C@H](CS)C(=O)NCB(O)O |r| Show InChI InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518893 (CHEMBL4545947) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	6.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518896 (CHEMBL4517893) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccccc1 |r| Show InChI InChI=1S/C11H16BNO3S/c1-8(7-17)11(14)13-10(12(15)16)9-5-3-2-4-6-9/h2-6,8,10,15-17H,7H2,1H3,(H,13,14)/t8-,10-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518877 (CHEMBL4546207) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C9H20BNO3S/c1-6(2)4-8(10(13)14)11-9(12)7(3)5-15/h6-8,13-15H,4-5H2,1-3H3,(H,11,12)/t7-,8-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518908 (CHEMBL4543432) Show SMILES COc1ccc(C[C@@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r| Show InChI InChI=1S/C13H20BNO4S/c1-9(8-20)13(16)15-12(14(17)18)7-10-3-5-11(19-2)6-4-10/h3-6,9,12,17-18,20H,7-8H2,1-2H3,(H,15,16)/t9-,12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518883 (CHEMBL4577981) Show SMILES CCCC(=O)NCB(O)O Show InChI InChI=1S/C5H12BNO3/c1-2-3-5(8)7-4-6(9)10/h9-10H,2-4H2,1H3,(H,7,8)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518885 (CHEMBL4451026) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)C(CS)Cc1ccccc1 |r| Show InChI InChI=1S/C18H22BNO3S/c21-18(16(13-24)11-14-7-3-1-4-8-14)20-17(19(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,22-24H,11-13H2,(H,20,21)/t16?,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518903 (CHEMBL4445648) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C8H18BNO3S/c1-5(2)7(9(12)13)10-8(11)6(3)4-14/h5-7,12-14H,4H2,1-3H3,(H,10,11)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518905 (CHEMBL4469059) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C9H20BNO3S/c1-6(2)4-8(10(13)14)11-9(12)7(3)5-15/h6-8,13-15H,4-5H2,1-3H3,(H,11,12)/t7-,8+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518900 (CHEMBL4545274) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1ccc(F)cc1)B(O)O |r| Show InChI InChI=1S/C12H17BFNO3S/c1-8(7-19)12(16)15-11(13(17)18)6-9-2-4-10(14)5-3-9/h2-5,8,11,17-19H,6-7H2,1H3,(H,15,16)/t8-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518894 (CHEMBL4444926) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C15H18BNO3S/c1-10(9-21)15(18)17-14(16(19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,19-21H,9H2,1H3,(H,17,18)/t10-,14-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518898 (CHEMBL4546893) Show SMILES C[C@H](CS)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C6H11NO3S/c1-4(3-11)6(10)7-2-5(8)9/h4,11H,2-3H2,1H3,(H,7,10)(H,8,9)/t4-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518904 (CHEMBL4544829) Show SMILES CCCC(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3/c1-2-6-12(15)14-11(13(16)17)9-10-7-4-3-5-8-10/h3-5,7-8,11,16-17H,2,6,9H2,1H3,(H,14,15)/t11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518880 (CHEMBL4438924) Show SMILES CC(C)[C@@H](NC(=O)[C@H](C)CS)B(O)O |r| Show InChI InChI=1S/C8H18BNO3S/c1-5(2)7(9(12)13)10-8(11)6(3)4-14/h5-7,12-14H,4H2,1-3H3,(H,10,11)/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518909 (CHEMBL4464521) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518888 (CHEMBL4466256) Show SMILES CCC(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C11H16BNO3/c1-2-11(14)13-10(12(15)16)8-9-6-4-3-5-7-9/h3-7,10,15-16H,2,8H2,1H3,(H,13,14)/t10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
P2Y purinoceptor 14 (Homo sapiens (Human))	BDBM50456168 (CHEMBL1800685) Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01632 BindingDB Entry DOI: 10.7270/Q26D5Z20
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351665 (CHEMBL1822369) Show SMILES OC[C@H]1CCCN1CCCNC(=O)c1cc2NC(=O)C(=NNC(=O)Cc3ccc4OCCc4c3)c2c(Br)c1 |r,w:20.21| Show InChI InChI=1S/C27H30BrN5O5/c28-20-13-18(26(36)29-7-2-9-33-8-1-3-19(33)15-34)14-21-24(20)25(27(37)30-21)32-31-23(35)12-16-4-5-22-17(11-16)6-10-38-22/h4-5,11,13-14,19,34H,1-3,6-10,12,15H2,(H,29,36)(H,31,35)(H,30,32,37)/t19-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351664 (CHEMBL1822368) Show SMILES O[C@@H]1CCN(CCCNC(=O)c2cc3NC(=O)C(=NNC(=O)Cc4ccc5OCCc5c4)c3c(Br)c2)C1 |r,w:18.18| Show InChI InChI=1S/C26H28BrN5O5/c27-19-12-17(25(35)28-6-1-7-32-8-4-18(33)14-32)13-20-23(19)24(26(36)29-20)31-30-22(34)11-15-2-3-21-16(10-15)5-9-37-21/h2-3,10,12-13,18,33H,1,4-9,11,14H2,(H,28,35)(H,30,34)(H,29,31,36)/t18-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351662 (CHEMBL1822366) Show SMILES Brc1cc(cc2NC(=O)C(=NNC(=O)Cc3ccc4OCCc4c3)c12)C(=O)NCN1CCOCC1 |w:10.10| Show InChI InChI=1S/C24H24BrN5O5/c25-17-11-16(23(32)26-13-30-4-7-34-8-5-30)12-18-21(17)22(24(33)27-18)29-28-20(31)10-14-1-2-19-15(9-14)3-6-35-19/h1-2,9,11-12H,3-8,10,13H2,(H,26,32)(H,28,31)(H,27,29,33)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351633 (CHEMBL497118) Show SMILES Cc1csc(c1)-c1ccc2nnc(Cc3ccc(O)cc3)n2n1 Show InChI InChI=1S/C17H14N4OS/c1-11-8-15(23-10-11)14-6-7-16-18-19-17(21(16)20-14)9-12-2-4-13(22)5-3-12/h2-8,10,22H,9H2,1H3	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
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351579 (CHEMBL494985) Show SMILES CNC(=O)c1ccc(cc1Cl)-c1ccc2nnc(Cc3ccc(O)cc3)n2n1 Show InChI InChI=1S/C20H16ClN5O2/c1-22-20(28)15-7-4-13(11-16(15)21)17-8-9-18-23-24-19(26(18)25-17)10-12-2-5-14(27)6-3-12/h2-9,11,27H,10H2,1H3,(H,22,28)	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
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24460 (N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...) Show SMILES CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1 Show InChI InChI=1S/C30H27FN4O4/c1-4-16-34-19(2)28(30(37)35(34)21-8-6-5-7-9-21)29(36)33-20-10-13-27(24(31)17-20)39-26-14-15-32-25-18-22(38-3)11-12-23(25)26/h5-15,17-18H,4,16H2,1-3H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28028 (2-aminopyridine analogue, 7 | N-{4-[(2-amino-3-eth...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#C Show InChI InChI=1S/C25H16F2N4O3/c1-2-18-21(11-12-29-23(18)28)34-22-10-7-16(14-20(22)27)30-24(32)19-4-3-13-31(25(19)33)17-8-5-15(26)6-9-17/h1,3-14H,(H2,28,29)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351641 (CHEMBL1823128) Show SMILES CN1CCN(CCCNC(=O)c2cc3NC(=O)C(=NNC(=O)Cc4ccc5OCCc5c4)c3c(Br)c2)CC1 |w:18.18| Show InChI InChI=1S/C27H31BrN6O4/c1-33-8-10-34(11-9-33)7-2-6-29-26(36)19-15-20(28)24-21(16-19)30-27(37)25(24)32-31-23(35)14-17-3-4-22-18(13-17)5-12-38-22/h3-4,13,15-16H,2,5-12,14H2,1H3,(H,29,36)(H,31,35)(H,30,32,37)	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	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28030 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24462 (N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...) Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r| Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24459 (N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...) Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C28H23FN4O4/c1-17-26(28(35)33(32(17)2)19-7-5-4-6-8-19)27(34)31-18-9-12-25(22(29)15-18)37-24-13-14-30-23-16-20(36-3)10-11-21(23)24/h4-16H,1-3H3,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50351650 (CHEMBL1823252) Show SMILES O[C@H]1CCN(CCCNC(=O)c2cc3NC(=O)C(=NNC(=O)Cc4ccc5OCCc5c4)c3c(Br)c2)C1 |r,w:18.18| Show InChI InChI=1S/C26H28BrN5O5/c27-19-12-17(25(35)28-6-1-7-32-8-4-18(33)14-32)13-20-23(19)24(26(36)29-20)31-30-22(34)11-15-2-3-21-16(10-15)5-9-37-21/h2-3,10,12-13,18,33H,1,4-9,11,14H2,(H,28,35)(H,30,34)(H,29,31,36)/t18-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24463 (N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...) Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r| Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24457 (2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}p...) Show SMILES [O-][n+]1c(cccc1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C25H17FN4O3/c26-19-15-17(9-10-23(19)33-22-12-14-28-24-18(22)11-13-27-24)29-25(31)21-8-4-7-20(30(21)32)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human c-MET				Eur J Med Chem 46: 3675-80 (2011) Article DOI: 10.1016/j.ejmech.2011.05.031 BindingDB Entry DOI: 10.7270/Q2891676
					More data for this Ligand-Target Pair

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