Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 189.2 BDBM50017047Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 (RAT)	BDBM50017047 (1-Isobutyl-1,2,3,4-tetrahydro-isoquinoline | CHEMB...) Show SMILES CC(C)CC1NCCc2ccccc12 Show InChI InChI=1S/C13H19N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10,13-14H,7-9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle& Co. Curated by ChEMBL					Assay Description Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor				J Med Chem 32: 1242-8 (1989) BindingDB Entry DOI: 10.7270/Q2CR5TXJ
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50017047 (1-Isobutyl-1,2,3,4-tetrahydro-isoquinoline | CHEMB...) Show SMILES CC(C)CC1NCCc2ccccc12 Show InChI InChI=1S/C13H19N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10,13-14H,7-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle& Co. Curated by ChEMBL					Assay Description Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine receptor				J Med Chem 32: 1242-8 (1989) BindingDB Entry DOI: 10.7270/Q2CR5TXJ
					More data for this Ligand-Target Pair