BDBM50002435 3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxylic acid (1H-tetrazol-5-yl)-amide::CHEMBL302045

SMILES: COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1

InChI Key: InChIKey=TVVXHFWWAYXBNC-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 = 50002435   

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
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50002435 (3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...) Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1 Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated LTC4/D4 release from human neutrophil				J Med Chem 35: 958-65 (1992) BindingDB Entry DOI: 10.7270/Q25T3JF1
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50002435 (3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...) Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1 Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated LTC4/D4 release from human neutrophil				J Med Chem 35: 958-65 (1992) BindingDB Entry DOI: 10.7270/Q25T3JF1
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50002435 (3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...) Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1 Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated myeloperoxidase release from human neutrophil				J Med Chem 35: 958-65 (1992) BindingDB Entry DOI: 10.7270/Q25T3JF1
					More data for this Ligand-Target Pair