BDBM50075625 7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-7-(3-pyridyl)-(E)-6-heptenoic acid::CHEMBL21478

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

InChI Key: InChIKey=HGBRWNLDWJPLCR-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 = 50075625   

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))	BDBM50075625 (7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethy...) Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,14.15| Show InChI InChI=1S/C24H29N5O2/c1-24(2,3)29-23(27-17-25)28-20-11-7-9-18(15-20)21(19-10-8-14-26-16-19)12-5-4-6-13-22(30)31/h7-12,14-16H,4-6,13H2,1-3H3,(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	6	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))	BDBM50075625 (7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethy...) Show SMILES CC(C)(C)NC(Nc1cccc(c1)C(=CCCCCC(O)=O)c1cccnc1)=NC#N |w:28.30,14.15| Show InChI InChI=1S/C24H29N5O2/c1-24(2,3)29-23(27-17-25)28-20-11-7-9-18(15-20)21(19-10-8-14-26-16-19)12-5-4-6-13-22(30)31/h7-12,14-16H,4-6,13H2,1-3H3,(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	330	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