Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50037185   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027063 (CHEMBL2111838) Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131972 (4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131969 (CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7| Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131973 (CHEMBL338391 | N-[2-(1-Methyl-5-phenyl-2,3-dihydro...) Show SMILES CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19| Show InChI InChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027062 (CHEMBL2111837) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |r,t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049801 (4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...) Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131971 (CHEMBL338393 | Thiophene-2-carboxylic acid methyl-...) Show SMILES CN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1 |t:6| Show InChI InChI=1S/C24H25N3OS/c1-26(24(28)22-13-8-16-29-22)15-14-19-17-25-23(18-9-4-3-5-10-18)20-11-6-7-12-21(20)27(19)2/h3-13,16,19H,14-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049804 (1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...) Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20| Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair