Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'steffey' and Initial = 'm'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484842 (CHEMBL1958482 | GRL-0249A) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](CO2)NC(=O)OC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H43N3O9S/c1-20(2)17-34(44(38,39)24-12-10-22(40-3)11-13-24)18-28(35)26(14-21-8-6-5-7-9-21)32-31(37)43-23-15-25-27(33-30(36)41-4)19-42-29(25)16-23/h5-13,20,23,25-29,35H,14-19H2,1-4H3,(H,32,37)(H,33,36)/t23-,25-,26+,27-,28-,29-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.00180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483336 (CHEMBL1651153 | GRL-0476) Show SMILES [H][C@@]12CCO[C@]1([H])OCC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-20(2)18-31(40(34,35)23-11-9-22(36-3)10-12-23)19-26(32)25(17-21-7-5-4-6-8-21)30-29(33)39-27-14-16-38-28-24(27)13-15-37-28/h4-12,20,24-28,32H,13-19H2,1-3H3,(H,30,33)/t24-,25-,26+,27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.00270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484847 (CHEMBL1958483 | GRL-0289A) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)NC(=O)OC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H43N3O9S/c1-20(2)17-34(44(38,39)24-12-10-22(40-3)11-13-24)18-28(35)26(14-21-8-6-5-7-9-21)32-31(37)43-23-15-25-27(33-30(36)41-4)19-42-29(25)16-23/h5-13,20,23,25-29,35H,14-19H2,1-4H3,(H,32,37)(H,33,36)/t23-,25-,26+,27+,28-,29-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483338 (CHEMBL1651155) Show SMILES [H][C@@]12CCC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])CCO2 |r| Show InChI InChI=1S/C30H42N2O7S/c1-21(2)19-32(40(35,36)24-14-12-23(37-3)13-15-24)20-27(33)26(18-22-8-5-4-6-9-22)31-30(34)39-29-11-7-10-28-25(29)16-17-38-28/h4-6,8-9,12-15,21,25-29,33H,7,10-11,16-20H2,1-3H3,(H,31,34)/t25-,26+,27-,28-,29+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484190 (CHEMBL1817686) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](O)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-21(37-3)10-12-23)17-26(32)25(13-20-7-5-4-6-8-20)30-29(34)39-22-14-24-27(33)18-38-28(24)15-22/h4-12,19,22,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t22-,24-,25+,26-,27+,28-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484193 (CHEMBL1819294) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](O)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-18(2)15-31(39(35,36)22-10-8-20(29)9-11-22)16-25(32)24(12-19-6-4-3-5-7-19)30-28(34)38-21-13-23-26(33)17-37-27(23)14-21/h3-11,18,21,23-27,32-33H,12-17,29H2,1-2H3,(H,30,34)/t21-,23-,24+,25-,26+,27-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484191 (CHEMBL1819295) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)OC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H42N2O8S/c1-20(2)17-32(41(35,36)24-12-10-22(37-3)11-13-24)18-27(33)26(14-21-8-6-5-7-9-21)31-30(34)40-23-15-25-28(16-23)39-19-29(25)38-4/h5-13,20,23,25-29,33H,14-19H2,1-4H3,(H,31,34)/t23-,25+,26+,27-,28-,29+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484845 (CHEMBL1958480) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](CO2)NC(C)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H43N3O8S/c1-20(2)17-34(43(38,39)25-12-10-23(40-4)11-13-25)18-29(36)27(14-22-8-6-5-7-9-22)33-31(37)42-24-15-26-28(32-21(3)35)19-41-30(26)16-24/h5-13,20,24,26-30,36H,14-19H2,1-4H3,(H,32,35)(H,33,37)/t24-,26-,27+,28-,29-,30-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484841 (CHEMBL1958481) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)NC(C)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H43N3O8S/c1-20(2)17-34(43(38,39)25-12-10-23(40-4)11-13-25)18-29(36)27(14-22-8-6-5-7-9-22)33-31(37)42-24-15-26-28(32-21(3)35)19-41-30(26)16-24/h5-13,20,24,26-30,36H,14-19H2,1-4H3,(H,32,35)(H,33,37)/t24-,26-,27+,28+,29-,30-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483334 (CHEMBL1651160) Show SMILES [H][C@@]12CCO[C@]1([H])OCC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-19(2)17-31(39(34,35)22-10-8-21(29)9-11-22)18-25(32)24(16-20-6-4-3-5-7-20)30-28(33)38-26-13-15-37-27-23(26)12-14-36-27/h3-11,19,23-27,32H,12-18,29H2,1-2H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484196 (CHEMBL1819297) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](C)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H42N2O7S/c1-20(2)17-32(40(35,36)25-12-10-23(37-4)11-13-25)18-28(33)27(14-22-8-6-5-7-9-22)31-30(34)39-24-15-26-21(3)19-38-29(26)16-24/h5-13,20-21,24,26-29,33H,14-19H2,1-4H3,(H,31,34)/t21-,24+,26+,27-,28+,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484844 (CHEMBL1958486) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)OC(=O)N(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C32H45N3O9S/c1-21(2)18-35(45(39,40)25-13-11-23(41-5)12-14-25)19-28(36)27(15-22-9-7-6-8-10-22)33-31(37)43-24-16-26-29(17-24)42-20-30(26)44-32(38)34(3)4/h6-14,21,24,26-30,36H,15-20H2,1-5H3,(H,33,37)/t24-,26+,27+,28-,29-,30+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484843 (CHEMBL1958484) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](CO2)NS(C)(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H43N3O9S2/c1-20(2)17-33(44(38,39)24-12-10-22(40-3)11-13-24)18-28(34)26(14-21-8-6-5-7-9-21)31-30(35)42-23-15-25-27(32-43(4,36)37)19-41-29(25)16-23/h5-13,20,23,25-29,32,34H,14-19H2,1-4H3,(H,31,35)/t23-,25-,26+,27-,28-,29-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484189 (CHEMBL1819292) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](O)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-19(2)15-31(40(36,37)23-10-8-21(17-32)9-11-23)16-26(33)25(12-20-6-4-3-5-7-20)30-29(35)39-22-13-24-27(34)18-38-28(24)14-22/h3-11,19,22,24-28,32-34H,12-18H2,1-2H3,(H,30,35)/t22-,24-,25+,26-,27-,28-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483337 (CHEMBL1651154) Show SMILES [H][C@]12CCO[C@@]1([H])OCC[C@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-20(2)18-31(40(34,35)23-11-9-22(36-3)10-12-23)19-26(32)25(17-21-7-5-4-6-8-21)30-29(33)39-27-14-16-38-28-24(27)13-15-37-28/h4-12,20,24-28,32H,13-19H2,1-3H3,(H,30,33)/t24-,25+,26-,27-,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484197 (CHEMBL1819290) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](O)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-21(37-3)10-12-23)17-26(32)25(13-20-7-5-4-6-8-20)30-29(34)39-22-14-24-27(33)18-38-28(24)15-22/h4-12,19,22,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t22-,24-,25+,26-,27-,28-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484188 (CHEMBL1819291) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](O)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C28H39N3O7S/c1-18(2)15-31(39(35,36)22-10-8-20(29)9-11-22)16-25(32)24(12-19-6-4-3-5-7-19)30-28(34)38-21-13-23-26(33)17-37-27(23)14-21/h3-11,18,21,23-27,32-33H,12-17,29H2,1-2H3,(H,30,34)/t21-,23-,24+,25-,26-,27-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483335 (CHEMBL1651161) Show SMILES [H][C@@]12CCO[C@]1([H])OCC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-20(2)17-31(40(35,36)23-10-8-22(19-32)9-11-23)18-26(33)25(16-21-6-4-3-5-7-21)30-29(34)39-27-13-15-38-28-24(27)12-14-37-28/h3-11,20,24-28,32-33H,12-19H2,1-2H3,(H,30,34)/t24-,25-,26+,27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483341 (CHEMBL1651159) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H](C2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-20(2)17-31(40(34,35)25-11-9-23(36-3)10-12-25)18-27(32)26(15-21-7-5-4-6-8-21)30-29(33)39-24-16-22-13-14-37-28(22)38-19-24/h4-12,20,22,24,26-28,32H,13-19H2,1-3H3,(H,30,33)/t22-,24+,26-,27+,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484198 (CHEMBL1819296) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](C)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H42N2O7S/c1-20(2)17-32(40(35,36)25-12-10-23(37-4)11-13-25)18-28(33)27(14-22-8-6-5-7-9-22)31-30(34)39-24-15-26-21(3)19-38-29(26)16-24/h5-13,20-21,24,26-29,33H,14-19H2,1-4H3,(H,31,34)/t21-,24-,26-,27+,28-,29-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484846 (CHEMBL1958485) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)NS(C)(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H43N3O9S2/c1-20(2)17-33(44(38,39)24-12-10-22(40-3)11-13-24)18-28(34)26(14-21-8-6-5-7-9-21)31-30(35)42-23-15-25-27(32-43(4,36)37)19-41-29(25)16-23/h5-13,20,23,25-29,32,34H,14-19H2,1-4H3,(H,31,35)/t23-,25-,26+,27+,28-,29-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay				Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50437405 (CHEMBL2408778) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-30-33-34(20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) by Fluor de Lys based assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50437405 (CHEMBL2408778) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-30-33-34(20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484195 (CHEMBL1819293) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](CO2)OC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H42N2O8S/c1-20(2)17-32(41(35,36)24-12-10-22(37-3)11-13-24)18-27(33)26(14-21-8-6-5-7-9-21)31-30(34)40-23-15-25-28(16-23)39-19-29(25)38-4/h5-13,20,23,25-29,33H,14-19H2,1-4H3,(H,31,34)/t23-,25+,26+,27-,28-,29-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005012 (CHEMBL2408777) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-34(33-30-20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) by Fluor de Lys based assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005013 (CHEMBL2408779) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCCC(=O)NO Show InChI InChI=1S/C26H26ClN9O2/c27-19-11-9-17(10-12-19)24-23-25(28)29-16-30-26(23)36(32-24)20-7-5-6-18(14-20)21-15-31-34-35(21)13-4-2-1-3-8-22(37)33-38/h5-7,9-12,14-16,38H,1-4,8,13H2,(H,33,37)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484194 (CHEMBL1819289) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])C(=O)CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H38N2O8S/c1-19(2)16-31(40(35,36)23-11-9-21(37-3)10-12-23)17-26(32)25(13-20-7-5-4-6-8-20)30-29(34)39-22-14-24-27(33)18-38-28(24)15-22/h4-12,19,22,24-26,28,32H,13-18H2,1-3H3,(H,30,34)/t22-,24-,25+,26-,28-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483342 (CHEMBL1651156) Show SMILES [H][C@]12CCC[C@@]1([H])[C@H](CCO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H42N2O7S/c1-21(2)19-32(40(35,36)24-14-12-23(37-3)13-15-24)20-27(33)26(18-22-8-5-4-6-9-22)31-30(34)39-29-16-17-38-28-11-7-10-25(28)29/h4-6,8-9,12-15,21,25-29,33H,7,10-11,16-20H2,1-3H3,(H,31,34)/t25-,26+,27-,28+,29+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483339 (CHEMBL1651158) Show SMILES [H][C@]12COC[C@@]1([H])[C@H](CCO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H40N2O8S/c1-20(2)16-31(40(34,35)23-11-9-22(36-3)10-12-23)17-26(32)25(15-21-7-5-4-6-8-21)30-29(33)39-27-13-14-38-28-19-37-18-24(27)28/h4-12,20,24-28,32H,13-19H2,1-3H3,(H,30,33)/t24-,25-,26+,27-,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483340 (CHEMBL1651157) Show SMILES [H][C@]12CCC[C@@]1([H])[C@H](CCC2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H44N2O6S/c1-22(2)20-33(40(36,37)26-17-15-25(38-3)16-18-26)21-29(34)28(19-23-9-5-4-6-10-23)32-31(35)39-30-14-8-12-24-11-7-13-27(24)30/h4-6,9-10,15-18,22,24,27-30,34H,7-8,11-14,19-21H2,1-3H3,(H,32,35)/t24-,27-,28+,29-,30+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005015 (CHEMBL2408780) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCCCC(=O)NO Show InChI InChI=1S/C27H28ClN9O2/c28-20-12-10-18(11-13-20)25-24-26(29)30-17-31-27(24)37(33-25)21-8-6-7-19(15-21)22-16-32-35-36(22)14-5-3-1-2-4-9-23(38)34-39/h6-8,10-13,15-17,39H,1-5,9,14H2,(H,34,38)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50484192 (CHEMBL1819298) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])[C@@H](CO2)N(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H45N3O7S/c1-21(2)18-34(42(37,38)25-13-11-23(39-5)12-14-25)19-29(35)27(15-22-9-7-6-8-10-22)32-31(36)41-24-16-26-28(33(3)4)20-40-30(26)17-24/h6-14,21,24,26-30,35H,15-20H2,1-5H3,(H,32,36)/t24-,26-,27+,28-,29-,30-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu...				J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005016 (CHEMBL2408782) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C29H22ClN9O2/c30-22-10-8-20(9-11-22)27-26-28(31)32-17-33-29(26)39(35-27)23-6-2-5-21(14-23)24-15-34-37-38(24)16-19-4-1-3-18(13-19)7-12-25(40)36-41/h1-15,17,41H,16H2,(H,36,40)(H2,31,32,33)/b12-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005014 (CHEMBL2408781) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C29H22ClN9O2/c30-22-11-9-20(10-12-22)27-26-28(31)32-17-33-29(26)39(35-27)23-3-1-2-21(14-23)24-15-34-37-38(24)16-19-6-4-18(5-7-19)8-13-25(40)36-41/h1-15,17,41H,16H2,(H,36,40)(H2,31,32,33)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005018 (CHEMBL2407108) Show SMILES ONC(=O)CCCCCn1nncc1-c1ccccc1 Show InChI InChI=1S/C14H18N4O2/c19-14(16-20)9-5-2-6-10-18-13(11-15-17-18)12-7-3-1-4-8-12/h1,3-4,7-8,11,20H,2,5-6,9-10H2,(H,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) by Fluor de Lys based assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119568 (CHEMBL3617738) Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r| Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119569 (CHEMBL3617733) Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCSCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C33H39N9O2S/c1-41-16-17-42(28(22-41)24-6-3-2-4-7-24)32(44)14-19-45-18-13-31(43)35-25-8-5-9-26(20-25)36-33-34-15-12-29(38-33)37-30-21-27(39-40-30)23-10-11-23/h2-9,12,15,20-21,23,28H,10-11,13-14,16-19,22H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119569 (CHEMBL3617733) Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCSCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C33H39N9O2S/c1-41-16-17-42(28(22-41)24-6-3-2-4-7-24)32(44)14-19-45-18-13-31(43)35-25-8-5-9-26(20-25)36-33-34-15-12-29(38-33)37-30-21-27(39-40-30)23-10-11-23/h2-9,12,15,20-21,23,28H,10-11,13-14,16-19,22H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src C277S, C483S, S496S mutant (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119567 (CHEMBL3617740) Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r| Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50437405 (CHEMBL2408778) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-30-33-34(20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin) by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50437405 (CHEMBL2408778) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-30-33-34(20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin) after 10 mins by fluorimetric assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119578 (CHEMBL3617734) Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C34H41N9O2/c1-42-19-20-43(29(23-42)25-9-4-2-5-10-25)33(45)14-7-3-6-13-32(44)36-26-11-8-12-27(21-26)37-34-35-18-17-30(39-34)38-31-22-28(40-41-31)24-15-16-24/h2,4-5,8-12,17-18,21-22,24,29H,3,6-7,13-16,19-20,23H2,1H3,(H,36,44)(H3,35,37,38,39,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50005013 (CHEMBL2408779) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCCC(=O)NO Show InChI InChI=1S/C26H26ClN9O2/c27-19-11-9-17(10-12-19)24-23-25(28)29-16-30-26(23)36(32-24)20-7-5-6-18(14-20)21-15-31-34-35(21)13-4-2-1-3-8-22(37)33-38/h5-7,9-12,14-16,38H,1-4,8,13H2,(H,33,37)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin) after 10 mins by fluorimetric assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119570 (CHEMBL3617731) Show SMILES SCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C19H21N7OS/c27-18(7-9-28)21-13-2-1-3-14(10-13)22-19-20-8-6-16(24-19)23-17-11-15(25-26-17)12-4-5-12/h1-3,6,8,10-12,28H,4-5,7,9H2,(H,21,27)(H3,20,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src C277S, C483S, S496S mutant (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119576 (CHEMBL3617736) Show SMILES CC(NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119568 (CHEMBL3617738) Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r| Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src E280G mutant (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119575 (CHEMBL3617737) Show SMILES O=C(CCCCCC(=O)N1CCC[C@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r| Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119579 (CHEMBL3617730) Show SMILES CC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C18H19N7O/c1-11(26)20-13-3-2-4-14(9-13)21-18-19-8-7-16(23-18)22-17-10-15(24-25-17)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,20,26)(H3,19,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119574 (CHEMBL3617739) Show SMILES C[C@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r| Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50005012 (CHEMBL2408777) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-34(33-30-20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	371	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin) by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair

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