BDBM50041508 CHEMBL416040::Pentanoic acid 5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-yl ester

SMILES: CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1

InChI Key: InChIKey=DLPMQAKSYNDMKV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50041508   

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))	BDBM50041508 (CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...) Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:7| Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	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
Calcium channel (RAT)	BDBM50041508 (CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...) Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:7| Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.				J Med Chem 39: 2922-38 (1996) Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50041508 (CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...) Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:7| Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.				J Med Chem 39: 2922-38 (1996) Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50041508 (CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...) Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:7| Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	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