BDBM50075634 (E)-6-[3-(3-tert-Butyl-ureido)-phenyl]-6-pyridin-3-yl-hex-5-enoic acid::CHEMBL21647

SMILES: CC(C)(C)NC(=O)Nc1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1

InChI Key: InChIKey=CZEHIPZTTDKBEM-YBFXNURJSA-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 = 50075634   

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))	BDBM50075634 ((E)-6-[3-(3-tert-Butyl-ureido)-phenyl]-6-pyridin-3...) Show SMILES CC(C)(C)NC(=O)Nc1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C22H27N3O3/c1-22(2,3)25-21(28)24-18-10-6-8-16(14-18)19(11-4-5-12-20(26)27)17-9-7-13-23-15-17/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,27)(H2,24,25,28)/b19-11+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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 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))	BDBM50075634 ((E)-6-[3-(3-tert-Butyl-ureido)-phenyl]-6-pyridin-3...) Show SMILES CC(C)(C)NC(=O)Nc1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C22H27N3O3/c1-22(2,3)25-21(28)24-18-10-6-8-16(14-18)19(11-4-5-12-20(26)27)17-9-7-13-23-15-17/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,27)(H2,24,25,28)/b19-11+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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