BDBM50075618 6-{3-[2-cyano-1-cyclopentylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid::CHEMBL21639

SMILES: OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCC2)=NC#N)c1

InChI Key: InChIKey=JLQUGIOTHHQRSB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50075618   

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))	BDBM50075618 (6-{3-[2-cyano-1-cyclopentylamino-(E)-1-iminomethyl...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCC2)=NC#N)c1 |w:27.29,6.5| Show InChI InChI=1S/C24H27N5O2/c25-17-27-24(28-20-9-1-2-10-20)29-21-11-5-7-18(15-21)22(12-3-4-13-23(30)31)19-8-6-14-26-16-19/h5-8,11-12,14-16,20H,1-4,9-10,13H2,(H,30,31)(H2,27,28,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.				J Med Chem 42: 1235-49 (1999) Article DOI: 10.1021/jm9707941 BindingDB Entry DOI: 10.7270/Q2H41QMS
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50075618 (6-{3-[2-cyano-1-cyclopentylamino-(E)-1-iminomethyl...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NC2CCCC2)=NC#N)c1 |w:27.29,6.5| Show InChI InChI=1S/C24H27N5O2/c25-17-27-24(28-20-9-1-2-10-20)29-21-11-5-7-18(15-21)22(12-3-4-13-23(30)31)19-8-6-14-26-16-19/h5-8,11-12,14-16,20H,1-4,9-10,13H2,(H,30,31)(H2,27,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.				J Med Chem 42: 1235-49 (1999) Article DOI: 10.1021/jm9707941 BindingDB Entry DOI: 10.7270/Q2H41QMS
					More data for this Ligand-Target Pair