Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50037074   

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))	BDBM50108789 (7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...) Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30| Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108788 (7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12| Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108787 (7-benzyl-18-cyclopropylmethyl-6-methyl-5-phenyl-10...) Show SMILES Cc1c(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c2n1Cc1ccccc1)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |THB:10:9:5:29.27.28,14:34:5:29.27.28| Show InChI InChI=1S/C36H36N2O3/c1-22-30(25-10-6-3-7-11-25)27-19-36(40)29-18-26-14-15-28(39)33-31(26)35(36,16-17-37(29)20-24-12-13-24)34(41-33)32(27)38(22)21-23-8-4-2-5-9-23/h2-11,14-15,24,29,34,39-40H,12-13,16-21H2,1H3/t29?,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108792 (7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...) Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4| Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair