Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'myers' and Initial = 'mc'   

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
Procathepsin L (Homo sapiens (Human))	BDBM51395 (CHEMBL263634 | N-[(2S)-1-[[[2-(3,4-dihydro-2H-quin...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)OCC(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C28H33N5O6/c1-28(2,3)39-26(36)30-22(15-19-16-29-21-12-6-5-11-20(19)21)25(35)31-32-27(37)38-17-24(34)33-14-8-10-18-9-4-7-13-23(18)33/h4-7,9,11-13,16,22,29H,8,10,14-15,17H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377081 (CHEMBL258492) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)SCC(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C28H33N5O5S/c1-28(2,3)38-26(36)30-22(15-19-16-29-21-12-6-5-11-20(19)21)25(35)31-32-27(37)39-17-24(34)33-14-8-10-18-9-4-7-13-23(18)33/h4-7,9,11-13,16,22,29H,8,10,14-15,17H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374666 (CHEMBL259450) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of cathepsin L				Bioorg Med Chem Lett 18: 210-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.107 BindingDB Entry DOI: 10.7270/Q2FN172C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374666 (CHEMBL259450) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377080 (CHEMBL259183) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)SC1CCN(C1=O)c1ccccc1 Show InChI InChI=1S/C27H31N5O5S/c1-27(2,3)37-25(35)29-21(15-17-16-28-20-12-8-7-11-19(17)20)23(33)30-31-26(36)38-22-13-14-32(24(22)34)18-9-5-4-6-10-18/h4-12,16,21-22,28H,13-15H2,1-3H3,(H,29,35)(H,30,33)(H,31,36)/t21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377083 (CHEMBL259451) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C25H32N4O5S/c1-5-18-13-9-10-14-19(18)26-21(30)16-35-24(33)29-28-22(31)20(15-17-11-7-6-8-12-17)27-23(32)34-25(2,3)4/h6-14,20H,5,15-16H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)(H,29,33)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374665 (CHEMBL272325) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C22H25N5O3S/c1-2-14-7-3-5-9-18(14)25-20(28)13-31-22(30)27-26-21(29)17(23)11-15-12-24-19-10-6-4-8-16(15)19/h3-10,12,17,24H,2,11,13,23H2,1H3,(H,25,28)(H,26,29)(H,27,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of cathepsin L				Bioorg Med Chem Lett 18: 210-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.107 BindingDB Entry DOI: 10.7270/Q2FN172C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374668 (CHEMBL558044) Show SMILES CN(C)C(=O)CSc1nnc(o1)C(N)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C16H19N5O2S/c1-21(2)14(22)9-24-16-20-19-15(23-16)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8,12,18H,7,9,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of cathepsin L				Bioorg Med Chem Lett 18: 210-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.107 BindingDB Entry DOI: 10.7270/Q2FN172C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377079 (CHEMBL406930) Show SMILES COC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C20H26N4O6S/c1-20(2,3)30-18(27)22-15(9-12-10-21-14-8-6-5-7-13(12)14)17(26)23-24-19(28)31-11-16(25)29-4/h5-8,10,15,21H,9,11H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32783 (2-thiophenecarboxylic acid [5-amino-1-(4-fluorophe...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C14H10FN3O4S2/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)22-14(19)11-2-1-7-23-11/h1-8H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374667 (CHEMBL559173) Show SMILES CCN(CC)C(=O)CSc1nnc(o1)C(N)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C18H23N5O2S/c1-3-23(4-2)16(24)11-26-18-22-21-17(25-18)14(19)9-12-10-20-15-8-6-5-7-13(12)15/h5-8,10,14,20H,3-4,9,11,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of cathepsin L				Bioorg Med Chem Lett 18: 210-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.107 BindingDB Entry DOI: 10.7270/Q2FN172C
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM35509 (2-thiophenecarboxylic acid [5-amino-1-(4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N Show InChI InChI=1S/C15H13N3O5S2/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-24-12/h2-9H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 17 hrs in buffer without DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32756 (2-furancarboxylic acid [5-amino-1-(4-fluorophenyl)...) Show SMILES Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C14H10FN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 2 hrs in buffer without DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 2 hrs in non-buffer solution without DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32665 (2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N Show InChI InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 17 hrs in non-buffer solution without DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32755 (2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377078 (CHEMBL263661) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)NCC(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C28H34N6O5/c1-28(2,3)39-27(38)31-22(15-19-16-29-21-12-6-5-11-20(19)21)25(36)32-33-26(37)30-17-24(35)34-14-8-10-18-9-4-7-13-23(18)34/h4-7,9,11-13,16,22,29H,8,10,14-15,17H2,1-3H3,(H,31,38)(H,32,36)(H2,30,33,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 24 hrs in buffer without DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 24 hrs in non-buffer solution without DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 2 hrs in assay buffer with DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP450 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP450 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377082 (CHEMBL430225) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C22H24N4O3S/c1-2-15-7-3-5-9-18(15)24-21(28)14-30-22(29)26-25-20(27)12-11-16-13-23-19-10-6-4-8-17(16)19/h3-10,13,23H,2,11-12,14H2,1H3,(H,24,28)(H,25,27)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 3646-51 (2008) Article DOI: 10.1016/j.bmcl.2008.04.065 BindingDB Entry DOI: 10.7270/Q29Z95SV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374664 (CHEMBL258148) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of cathepsin L				Bioorg Med Chem Lett 18: 210-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.107 BindingDB Entry DOI: 10.7270/Q2FN172C
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 17 hrs in assay buffer with DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM32784 (2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...) Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B preincubated for 24 hrs in assay buffer with DTT				Bioorg Med Chem Lett 17: 4761-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.091 BindingDB Entry DOI: 10.7270/Q2FT8KQD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541295 (CHEMBL4635526) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1 Show InChI InChI=1S/C13H14N2O2S/c1-2-8-18-13-14-11(16)9-12(17)15(13)10-6-4-3-5-7-10/h3-7,9,17H,2,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.40E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541297 (CHEMBL4644105) Show SMILES CCCSc1nc(=O)cc(O)n1-c1cccc(OC)c1 Show InChI InChI=1S/C14H16N2O3S/c1-3-7-20-14-15-12(17)9-13(18)16(14)10-5-4-6-11(8-10)19-2/h4-6,8-9,18H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541298 (CHEMBL4639386) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-4-6-11(19-2)7-5-10/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541299 (CHEMBL4648809) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1C |(75.63,-6.41,;76.97,-7.18,;78.3,-6.4,;79.64,-7.17,;80.97,-6.4,;80.97,-4.85,;82.3,-4.08,;82.31,-2.54,;83.64,-4.86,;83.64,-6.39,;84.97,-7.16,;82.3,-7.16,;82.3,-8.69,;80.97,-9.46,;80.97,-11.01,;82.31,-11.78,;83.64,-11.01,;83.64,-9.46,;84.97,-8.68,)| Show InChI InChI=1S/C14H16N2O2S/c1-3-8-19-14-15-12(17)9-13(18)16(14)11-7-5-4-6-10(11)2/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541300 (CHEMBL4642936) Show SMILES CCCSc1nc(=O)cc(O)n1-c1cccc(C)c1 Show InChI InChI=1S/C14H16N2O2S/c1-3-7-19-14-15-12(17)9-13(18)16(14)11-6-4-5-10(2)8-11/h4-6,8-9,18H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541301 (CHEMBL4640721) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccc(C)cc1 Show InChI InChI=1S/C14H16N2O2S/c1-3-8-19-14-15-12(17)9-13(18)16(14)11-6-4-10(2)5-7-11/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541302 (CHEMBL4638547) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1Cl |(40.28,-25.39,;41.62,-26.16,;42.95,-25.39,;44.29,-26.16,;45.62,-25.38,;45.62,-23.84,;46.96,-23.07,;46.96,-21.53,;48.29,-23.84,;48.29,-25.37,;49.62,-26.14,;46.95,-26.14,;46.95,-27.68,;45.63,-28.45,;45.62,-29.99,;46.96,-30.76,;48.29,-29.99,;48.29,-28.44,;49.62,-27.67,)| Show InChI InChI=1S/C13H13ClN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541303 (CHEMBL4639331) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1F |(56.55,-24.81,;57.89,-25.58,;59.22,-24.81,;60.55,-25.57,;61.89,-24.8,;61.89,-23.26,;63.22,-22.49,;63.22,-20.95,;64.56,-23.26,;64.56,-24.79,;65.89,-25.56,;63.22,-25.56,;63.22,-27.1,;61.89,-27.87,;61.89,-29.41,;63.22,-30.18,;64.56,-29.41,;64.56,-27.86,;65.89,-27.09,)| Show InChI InChI=1S/C13H13FN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541304 (CHEMBL4640808) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1Br |(75.66,-25.69,;77,-26.46,;78.33,-25.69,;79.66,-26.45,;81,-25.68,;81,-24.14,;82.33,-23.36,;82.33,-21.82,;83.66,-24.14,;83.67,-25.67,;85,-26.44,;82.33,-26.44,;82.33,-27.98,;81,-28.75,;81,-30.29,;82.33,-31.06,;83.67,-30.29,;83.67,-28.74,;85,-27.96,)| Show InChI InChI=1S/C13H13BrN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	155	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541305 (CHEMBL4642243) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1C(F)(F)F |(2.99,-44.3,;4.32,-45.06,;5.65,-44.29,;6.99,-45.06,;8.31,-44.28,;8.32,-42.74,;9.65,-41.97,;9.66,-40.43,;10.98,-42.74,;10.98,-44.27,;12.31,-45.04,;9.65,-45.05,;9.65,-47.02,;8.32,-47.79,;8.32,-49.33,;9.66,-50.1,;10.99,-49.33,;10.98,-47.78,;12.31,-46.95,;11.53,-45.61,;13.08,-45.61,;13.67,-47.67,)| Show InChI InChI=1S/C14H13F3N2O2S/c1-2-7-22-13-18-11(20)8-12(21)19(13)10-6-4-3-5-9(10)14(15,16)17/h3-6,8,21H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541306 (CHEMBL4642418) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1CC |(20.85,-43.96,;22.19,-44.73,;23.52,-43.96,;24.85,-44.72,;26.19,-43.95,;26.19,-42.41,;27.52,-41.63,;27.52,-40.09,;28.86,-42.41,;28.86,-43.94,;30.19,-44.71,;27.52,-44.71,;27.52,-46.25,;26.19,-47.02,;26.19,-48.56,;27.52,-49.33,;28.86,-48.56,;28.86,-47.01,;30.19,-46.23,;31.52,-47,)| Show InChI InChI=1S/C15H18N2O2S/c1-3-9-20-15-16-13(18)10-14(19)17(15)12-8-6-5-7-11(12)4-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541307 (CHEMBL4639234) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OCC |(39.43,-44.01,;40.77,-44.78,;42.1,-44,;43.43,-44.77,;44.77,-44,;44.77,-42.45,;46.1,-41.68,;46.1,-40.14,;47.44,-42.45,;47.44,-43.99,;48.77,-44.76,;46.1,-44.76,;46.1,-46.29,;44.77,-47.06,;44.77,-48.61,;46.11,-49.38,;47.44,-48.61,;47.44,-47.06,;48.77,-46.28,;50.11,-47.05,;51.44,-46.27,)| Show InChI InChI=1S/C15H18N2O3S/c1-3-9-21-15-16-13(18)10-14(19)17(15)11-7-5-6-8-12(11)20-4-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541308 (CHEMBL4632913) Show SMILES COc1ccccc1-n1c(O)cc(=O)nc1SC(C)C |(67.57,-48.25,;66.23,-47.49,;64.9,-48.26,;64.9,-49.81,;63.57,-50.58,;62.23,-49.81,;62.23,-48.27,;63.56,-47.5,;63.56,-45.96,;64.9,-45.19,;66.23,-45.96,;64.9,-43.66,;63.56,-42.89,;63.57,-41.35,;62.23,-43.66,;62.23,-45.2,;60.9,-45.98,;59.56,-45.21,;58.23,-45.98,;59.56,-43.67,)| Show InChI InChI=1S/C14H16N2O3S/c1-9(2)20-14-15-12(17)8-13(18)16(14)10-6-4-5-7-11(10)19-3/h4-9,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541309 (CHEMBL4635715) Show SMILES COc1ccccc1-n1c(O)cc(=O)nc1SCC(C)C |(85.4,-47.57,;84.06,-46.8,;82.73,-47.58,;82.74,-49.13,;81.4,-49.9,;80.07,-49.13,;80.07,-47.58,;81.4,-46.81,;81.4,-45.28,;82.73,-44.51,;84.07,-45.28,;82.73,-42.97,;81.4,-42.2,;81.4,-40.66,;80.06,-42.97,;80.06,-44.52,;78.73,-45.29,;77.39,-44.52,;76.06,-45.3,;74.73,-44.53,;76.06,-46.84,)| Show InChI InChI=1S/C15H18N2O3S/c1-10(2)9-21-15-16-13(18)8-14(19)17(15)11-6-4-5-7-12(11)20-3/h4-8,10,19H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541310 (CHEMBL4641511) Show SMILES CCCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(3,-5.53,;4.33,-4.75,;5.67,-5.52,;7,-4.75,;8.33,-5.52,;9.67,-4.74,;9.67,-3.2,;11,-2.43,;11,-.89,;12.34,-3.2,;12.34,-4.73,;13.67,-5.5,;11,-5.5,;11,-7.04,;9.67,-7.81,;9.67,-9.35,;11.01,-10.12,;12.34,-9.35,;12.34,-7.8,;13.67,-7.03,;15,-7.79,)| Show InChI InChI=1S/C15H18N2O3S/c1-3-4-9-21-15-16-13(18)10-14(19)17(15)11-7-5-6-8-12(11)20-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541311 (CHEMBL4640095) Show SMILES CCCSc1nc(=O)c(C)c(O)n1-c1ccccc1OC |(22.4,-5.23,;23.73,-6,;25.06,-5.22,;26.4,-5.99,;27.73,-5.22,;27.73,-3.67,;29.07,-2.9,;29.07,-1.36,;30.4,-3.67,;31.74,-2.91,;30.4,-5.21,;31.74,-5.98,;29.07,-5.98,;29.07,-7.51,;27.74,-8.28,;27.74,-9.83,;29.07,-10.6,;30.41,-9.83,;30.4,-8.28,;31.73,-7.5,;33.07,-8.27,)| Show InChI InChI=1S/C15H18N2O3S/c1-4-9-21-15-16-13(18)10(2)14(19)17(15)11-7-5-6-8-12(11)20-3/h5-8,19H,4,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541312 (CHEMBL4646012) Show SMILES CCCSc1nc(=O)c(CC)c(O)n1-c1ccccc1OC |(39.11,-5.05,;40.45,-5.82,;41.78,-5.04,;43.11,-5.81,;44.45,-5.04,;44.45,-3.49,;45.78,-2.72,;45.78,-1.18,;47.12,-3.5,;48.45,-2.73,;49.78,-3.5,;47.12,-5.03,;48.45,-5.8,;45.78,-5.8,;45.78,-7.33,;44.45,-8.1,;44.45,-9.65,;45.79,-10.42,;47.12,-9.65,;47.12,-8.1,;48.45,-7.32,;49.78,-8.09,)| Show InChI InChI=1S/C16H20N2O3S/c1-4-10-22-16-17-14(19)11(5-2)15(20)18(16)12-8-6-7-9-13(12)21-3/h6-9,20H,4-5,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 68 total )  |  Next  |  Last  >>

Jump to: