Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105088'   

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))	BDBM50105088 (1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1 Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105088 (1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1 Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair