BDBM10036 1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)ethyl]-1H-imidazole::1-{2-[(4E)-4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene]ethyl}-1H-imidazole::CHEMBL57513::Tetrahydrobenzo[b]thiophene 35E

SMILES: C(\C=C1/CCCc2sccc12)n1ccnc1

InChI Key: InChIKey=RUTWVMBTFHJSGO-NYYWCZLTSA-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 = 10036   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM10036 (1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	7.4	30
Universitat des Saarlandes					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM10036 (1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Coimbra Curated by ChEMBL					Assay Description Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH				J Med Chem 52: 143-50 (2009) Article DOI: 10.1021/jm800945c BindingDB Entry DOI: 10.7270/Q2SQ9080
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM10036 (1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...) Show SMILES C(\C=C1/CCCc2sccc12)n1ccnc1 Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat des Saarlandes					Assay Description Thromboxane A2 synthase activity was assayed by measuring the fragmentation of prostaglandin H2 to form 12-hydroxy-5, 8,10-heptadecatrienoic acid and...				J Med Chem 43: 1841-51 (2000) Article DOI: 10.1021/jm991180u BindingDB Entry DOI: 10.7270/Q2D21VTH
					More data for this Ligand-Target Pair