BDBM50029755 Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester::CHEMBL116087

SMILES: CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1

InChI Key: InChIKey=QPLIUHBKNKNSRD-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50029755   

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))	BDBM50029755 (Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...) Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand				J Med Chem 39: 3435-50 (1996) Article DOI: 10.1021/jm960251b BindingDB Entry DOI: 10.7270/Q23B60SK
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50029755 (Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...) Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor				J Med Chem 38: 4730-8 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1MJ8
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50029755 (Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...) Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate				J Med Chem 39: 3435-50 (1996) Article DOI: 10.1021/jm960251b BindingDB Entry DOI: 10.7270/Q23B60SK
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50029755 (Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...) Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	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
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50029755 (Acetic acid 5-(4-chloro-phenyl)-6-thia-10b-aza-ben...) Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-17-6-4-12-22(17)16-5-2-3-7-18(16)25-20(19)14-8-10-15(21)11-9-14/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	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