BDBM50071142 (E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL57576

SMILES: OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCc1ccccc1)c1cccnc1

InChI Key: InChIKey=GZYRADOPCAPBPA-OPEKNORGSA-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 = 50071142   

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))	BDBM50071142 ((E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCc1ccccc1)c1cccnc1 Show InChI InChI=1S/C29H27N3O4/c33-27(34)12-6-2-5-11-25(24-10-7-17-30-19-24)22-13-15-23(16-14-22)29-32-26(20-36-29)28(35)31-18-21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20H,2,5-6,12,18H2,(H,31,35)(H,33,34)/b25-11+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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))	BDBM50071142 ((E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCc1ccccc1)c1cccnc1 Show InChI InChI=1S/C29H27N3O4/c33-27(34)12-6-2-5-11-25(24-10-7-17-30-19-24)22-13-15-23(16-14-22)29-32-26(20-36-29)28(35)31-18-21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20H,2,5-6,12,18H2,(H,31,35)(H,33,34)/b25-11+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.7	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))	BDBM50071142 ((E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCc1ccccc1)c1cccnc1 Show InChI InChI=1S/C29H27N3O4/c33-27(34)12-6-2-5-11-25(24-10-7-17-30-19-24)22-13-15-23(16-14-22)29-32-26(20-36-29)28(35)31-18-21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20H,2,5-6,12,18H2,(H,31,35)(H,33,34)/b25-11+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	135	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))	BDBM50071142 ((E)-7-[4-(4-Benzylcarbamoyl-oxazol-2-yl)-phenyl]-7...) Show SMILES OC(=O)CCCC\C=C(/c1ccc(cc1)-c1nc(co1)C(=O)NCc1ccccc1)c1cccnc1 Show InChI InChI=1S/C29H27N3O4/c33-27(34)12-6-2-5-11-25(24-10-7-17-30-19-24)22-13-15-23(16-14-22)29-32-26(20-36-29)28(35)31-18-21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20H,2,5-6,12,18H2,(H,31,35)(H,33,34)/b25-11+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	135	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