BDBM50041496 Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester::CHEMBL33609

SMILES: CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1

InChI Key: InChIKey=WSCWSHLNWYHRLH-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 = 50041496   

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))	BDBM50041496 (Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...) Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1 |t:6| Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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)	BDBM50041496 (Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...) Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1 |t:6| Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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))	BDBM50041496 (Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...) Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1 |t:6| Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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))	BDBM50041496 (Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...) Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1 |t:6| Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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