BDBM50075637 6-{3-[2-cyano-1-isopentylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid::CHEMBL416374

SMILES: CC(C)CCNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N

InChI Key: InChIKey=JIOGHZHDRQMSBB-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 = 50075637   

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))	BDBM50075637 (6-{3-[2-cyano-1-isopentylamino-(E)-1-iminomethylam...) Show SMILES CC(C)CCNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,15.16| Show InChI InChI=1S/C24H29N5O2/c1-18(2)12-14-27-24(28-17-25)29-21-9-5-7-19(15-21)22(10-3-4-11-23(30)31)20-8-6-13-26-16-20/h5-10,13,15-16,18H,3-4,11-12,14H2,1-2H3,(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))	BDBM50075637 (6-{3-[2-cyano-1-isopentylamino-(E)-1-iminomethylam...) Show SMILES CC(C)CCNC(Nc1cccc(c1)C(=CCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,15.16| Show InChI InChI=1S/C24H29N5O2/c1-18(2)12-14-27-24(28-17-25)29-21-9-5-7-19(15-21)22(10-3-4-11-23(30)31)20-8-6-13-26-16-20/h5-10,13,15-16,18H,3-4,11-12,14H2,1-2H3,(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	27	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