Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50430618'   

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))	BDBM50430618 (CHEMBL2338751) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3| Show InChI InChI=1S/C33H47NO4/c1-30(36,13-12-21-6-4-3-5-7-21)25-19-31-14-15-33(25,37-2)29-32(31)16-17-34(20-22-8-9-22)26(31)18-23-10-11-24(35)28(38-29)27(23)32/h10-11,21-22,25-26,29,35-36H,3-9,12-20H2,1-2H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells				J Med Chem 56: 3207-16 (2013) Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50430618 (CHEMBL2338751) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3| Show InChI InChI=1S/C33H47NO4/c1-30(36,13-12-21-6-4-3-5-7-21)25-19-31-14-15-33(25,37-2)29-32(31)16-17-34(20-22-8-9-22)26(31)18-23-10-11-24(35)28(38-29)27(23)32/h10-11,21-22,25-26,29,35-36H,3-9,12-20H2,1-2H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0410	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 56: 3207-16 (2013) Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q
					More data for this Ligand-Target Pair