Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50131971'   

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))	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	4.30	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 affinity against opioid receptor kappa 1 from human cloned receptor				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 (Cavia porcellus (domestic guinea pig))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig				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