BDBM50018179 2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophene-6-carboxylic acid::CHEMBL22542::Imitrodast

SMILES: OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1

InChI Key: InChIKey=KRBSZXUPPSXPAN-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50018179   

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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50018179 (2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...) Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |t:3| Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of thromboxane A2 synthetase				J Med Chem 32: 1265-72 (1989) BindingDB Entry DOI: 10.7270/Q2FF3RBV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50018179 (2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...) Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |t:3| Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of platelet microsomal thromboxane A synthetase in rabbits				J Med Chem 32: 1265-72 (1989) BindingDB Entry DOI: 10.7270/Q2FF3RBV
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50018179 (2-Imidazol-1-ylmethyl-4,5-dihydro-benzo[b]thiophen...) Show SMILES OC(=O)C1=Cc2sc(Cn3ccnc3)cc2CC1 |t:3| Show InChI InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits				J Med Chem 32: 1265-72 (1989) BindingDB Entry DOI: 10.7270/Q2FF3RBV
					More data for this Ligand-Target Pair