BDBM50075620 6-{3-[2-cyano-1-(3-pyridylmethylamino)-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid::CHEMBL418188

SMILES: OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2cccnc2)=NC#N)c1

InChI Key: InChIKey=YKMLNPDQLWRQKS-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 = 50075620   

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
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50075620 (6-{3-[2-cyano-1-(3-pyridylmethylamino)-(E)-1-imino...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2cccnc2)=NC#N)c1 |w:29.31,6.5| Show InChI InChI=1S/C25H24N6O2/c26-18-30-25(29-16-19-6-4-12-27-15-19)31-22-9-3-7-20(14-22)23(10-1-2-11-24(32)33)21-8-5-13-28-17-21/h3-10,12-15,17H,1-2,11,16H2,(H,32,33)(H2,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50075620 (6-{3-[2-cyano-1-(3-pyridylmethylamino)-(E)-1-imino...) Show SMILES OC(=O)CCCC=C(c1cccnc1)c1cccc(NC(NCc2cccnc2)=NC#N)c1 |w:29.31,6.5| Show InChI InChI=1S/C25H24N6O2/c26-18-30-25(29-16-19-6-4-12-27-15-19)31-22-9-3-7-20(14-22)23(10-1-2-11-24(32)33)21-8-5-13-28-17-21/h3-10,12-15,17H,1-2,11,16H2,(H,32,33)(H2,29,30,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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