Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50300380'   

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))	BDBM50300380 ((1R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7....) Show SMILES C=CCN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc5CC6[C@@H]7CCCC[C@]7(CCN6CC6CCC6)c5c2)c(O4)c31 |r,THB:34:35:38:44.45.46,53:52:38:44.45.46| Show InChI InChI=1S/C50H66N2O5/c1-2-27-51-29-26-50-39-16-12-17-44(50)57-48-43(23-21-36(47(48)50)31-42(39)51)56-46(54)19-8-6-4-3-5-7-18-45(53)55-37-22-20-35-30-41-38-15-9-10-24-49(38,40(35)32-37)25-28-52(41)33-34-13-11-14-34/h2,20-23,32,34,38-39,41-42,44H,1,3-19,24-31,33H2/t38-,39-,41?,42+,44-,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50300380 ((1R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7....) Show SMILES C=CCN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc5CC6[C@@H]7CCCC[C@]7(CCN6CC6CCC6)c5c2)c(O4)c31 |r,THB:34:35:38:44.45.46,53:52:38:44.45.46| Show InChI InChI=1S/C50H66N2O5/c1-2-27-51-29-26-50-39-16-12-17-44(50)57-48-43(23-21-36(47(48)50)31-42(39)51)56-46(54)19-8-6-4-3-5-7-18-45(53)55-37-22-20-35-30-41-38-15-9-10-24-49(38,40(35)32-37)25-28-52(41)33-34-13-11-14-34/h2,20-23,32,34,38-39,41-42,44H,1,3-19,24-31,33H2/t38-,39-,41?,42+,44-,49+,50+/m0/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	1.60	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 7389-96 (2009) Article DOI: 10.1021/jm900379p BindingDB Entry DOI: 10.7270/Q29P31Q8
					More data for this Ligand-Target Pair