Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50374644'   

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))	BDBM50374644 (CHEMBL271285) Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C26H36O8/c1-24(2,3)33-14-32-18-11-17(22(28)30-6)25(4)9-7-16-23(29)34-19(15-8-10-31-13-15)12-26(16,5)21(25)20(18)27/h8,10,13,16-19,21H,7,9,11-12,14H2,1-6H3/t16-,17-,18-,19-,21-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374644 (CHEMBL271285) Show SMILES COC(=O)[C@@H]1C[C@H](OCOC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C26H36O8/c1-24(2,3)33-14-32-18-11-17(22(28)30-6)25(4)9-7-16-23(29)34-19(15-8-10-31-13-15)12-26(16,5)21(25)20(18)27/h8,10,13,16-19,21H,7,9,11-12,14H2,1-6H3/t16-,17-,18-,19-,21-,25-,26-/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	108	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair