BDBM50532521 CHEMBL4524740

SMILES: Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1

InChI Key: InChIKey=JMGSYJVDHFHZCA-YDALLXLXSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50532521   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sigma opioid receptor (RAT)	BDBM50532521 (CHEMBL4524740) Show SMILES Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair
Sigma opioid receptor (RAT)	BDBM50532521 (CHEMBL4524740) Show SMILES Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50532521 (CHEMBL4524740) Show SMILES Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50532521 (CHEMBL4524740) Show SMILES Cl.Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r| Show InChI InChI=1S/C15H17FN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	277	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair