BDBM50041480 CHEMBL286381::Propionic acid 9-chloro-5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester

SMILES: CCC(=O)OC1=C(Sc2ccc(Cl)cc2-n2cccc12)c1ccc(OC)cc1

InChI Key: InChIKey=RYRWECLSAIUNTF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50041480   

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
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50041480 (CHEMBL286381 | Propionic acid 9-chloro-5-(4-methox...) Show SMILES CCC(=O)OC1=C(Sc2ccc(Cl)cc2-n2cccc12)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C22H18ClNO3S/c1-3-20(25)27-21-17-5-4-12-24(17)18-13-15(23)8-11-19(18)28-22(21)14-6-9-16(26-2)10-7-14/h4-13H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptor				J Med Chem 37: 1427-38 (1994) BindingDB Entry DOI: 10.7270/Q2668DVR
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50041480 (CHEMBL286381 | Propionic acid 9-chloro-5-(4-methox...) Show SMILES CCC(=O)OC1=C(Sc2ccc(Cl)cc2-n2cccc12)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C22H18ClNO3S/c1-3-20(25)27-21-17-5-4-12-24(17)18-13-15(23)8-11-19(18)28-22(21)14-6-9-16(26-2)10-7-14/h4-13H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Curated by ChEMBL					Assay Description Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptor				J Med Chem 37: 4100-8 (1995) BindingDB Entry DOI: 10.7270/Q2XD129C
					More data for this Ligand-Target Pair