BDBM50071141 (E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL291539

SMILES: CCCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1

InChI Key: InChIKey=PMZRHVZFESEBFJ-AUEPDCJTSA-N

Data: 2 IC50  2 Kd

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 4 hits for monomerid = 50071141   

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))	BDBM50071141 ((E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES CCCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C27H31N3O4/c1-2-3-7-17-29-26(33)24-19-34-27(30-24)21-14-12-20(13-15-21)23(22-9-8-16-28-18-22)10-5-4-6-11-25(31)32/h8-10,12-16,18-19H,2-7,11,17H2,1H3,(H,29,33)(H,31,32)/b23-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2				Bioorg Med Chem Lett 8: 1943-8 (1999) BindingDB Entry DOI: 10.7270/Q2DB8107
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50071141 ((E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES CCCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C27H31N3O4/c1-2-3-7-17-29-26(33)24-19-34-27(30-24)21-14-12-20(13-15-21)23(22-9-8-16-28-18-22)10-5-4-6-11-25(31)32/h8-10,12-16,18-19H,2-7,11,17H2,1H3,(H,29,33)(H,31,32)/b23-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro for inhibitory activity against thromboxane synthase				J Med Chem 41: 5362-74 (1999) Article DOI: 10.1021/jm980173n BindingDB Entry DOI: 10.7270/Q2V123Z8
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50071141 ((E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES CCCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C27H31N3O4/c1-2-3-7-17-29-26(33)24-19-34-27(30-24)21-14-12-20(13-15-21)23(22-9-8-16-28-18-22)10-5-4-6-11-25(31)32/h8-10,12-16,18-19H,2-7,11,17H2,1H3,(H,29,33)(H,31,32)/b23-10+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro for antagonistic activity against thromboxane synthase receptor				J Med Chem 41: 5362-74 (1999) Article DOI: 10.1021/jm980173n BindingDB Entry DOI: 10.7270/Q2V123Z8
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50071141 ((E)-7-[4-(4-Pentylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES CCCCCNC(=O)c1coc(n1)-c1ccc(cc1)C(=C/CCCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C27H31N3O4/c1-2-3-7-17-29-26(33)24-19-34-27(30-24)21-14-12-20(13-15-21)23(22-9-8-16-28-18-22)10-5-4-6-11-25(31)32/h8-10,12-16,18-19H,2-7,11,17H2,1H3,(H,29,33)(H,31,32)/b23-10+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro thromboxane receptor antagonism was determined using a human platelet binding assay				Bioorg Med Chem Lett 8: 1943-8 (1999) BindingDB Entry DOI: 10.7270/Q2DB8107
					More data for this Ligand-Target Pair