Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50035471'   

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))	BDBM50035471 (2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity kappa opioid receptor in guinea pig brain membranes, using 1 nM [3H]-U69,593 as radioligand				J Med Chem 37: 4490-8 (1995) BindingDB Entry DOI: 10.7270/Q2MW2G5Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50035471 (2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of compound towards kappa receptor by using radioligand [3H]-U-69,593 on guinea pig brain membranes				J Med Chem 37: 1547-9 (1994) BindingDB Entry DOI: 10.7270/Q24X56T9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50035471 (2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane using [3H]-U-69,593 as radioligand				J Med Chem 37: 4490-8 (1995) BindingDB Entry DOI: 10.7270/Q2MW2G5Z
					More data for this Ligand-Target Pair