Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50006990'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) Show SMILES NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes				Bioorg Med Chem Lett 27: 2216-2220 (2017) Article DOI: 10.1016/j.bmcl.2017.03.030 BindingDB Entry DOI: 10.7270/Q2P84F1X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006990 (CHEMBL299499 | N-Adamantan-1-yl-N'-(4-iodo-phenyl)...) Show SMILES NC(Nc1ccc(I)cc1)=NC12CC3CC(CC(C3)C1)C2 |w:10.11,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Institutions Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma opioid receptor of homogenized guinea pig whole brain				J Med Chem 34: 1867-70 (1991) BindingDB Entry DOI: 10.7270/Q21N802D
					More data for this Ligand-Target Pair