Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50127344'   

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))	BDBM50127344 ((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...) Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor				Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50127344 ((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...) Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor				Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838
					More data for this Ligand-Target Pair