Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50287928'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50287928 (1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5| Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.				Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50287928 (1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5| Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.				Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50287928 (1N-[4-cyclopropylmethyl-10,17-dihydroxy-(5R,13R,14...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5| Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(34)31-21-11-12-29(35)23-15-19-6-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,31,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.				Bioorg Med Chem Lett 6: 167-172 (1996) Article DOI: 10.1016/0960-894X(95)00583-F BindingDB Entry DOI: 10.7270/Q2QJ7H83
					More data for this Ligand-Target Pair