Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50093000'   

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))	BDBM50093000 (CHEMBL70693 | Derivative of Natrindole) Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:23:22:30:18.19.20,17:18:30:22.28.27,31:30:18.19.20:22.28.27| Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31?,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity by displacing [3H]U-69593 to human cloned Kappa opioid receptor transfected into CHO cells using [35S...				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093000 (CHEMBL70693 | Derivative of Natrindole) Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:23:22:30:18.19.20,17:18:30:22.28.27,31:30:18.19.20:22.28.27| Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31?,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593				Bioorg Med Chem Lett 10: 2259-61 (2001) BindingDB Entry DOI: 10.7270/Q2WS8TRF
					More data for this Ligand-Target Pair