Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50085021'   

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))	BDBM50085021 (Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...) Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21| Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50085021 (Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...) Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21| Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 183-7 (2000) BindingDB Entry DOI: 10.7270/Q2571CH7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50085021 (Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...) Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21| Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 183-7 (2000) BindingDB Entry DOI: 10.7270/Q2571CH7
					More data for this Ligand-Target Pair