BDBM50017896 (E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid::3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid::CHEMBL11662::CHEMBL542549::Ozagrel::cid_5282440

SMILES: OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1

InChI Key: InChIKey=SHZKQBHERIJWAO-AATRIKPKSA-N

Data: 14 IC50  1 EC50

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 15 hits for monomerid = 50017896   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by PubChem BioAssay									PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human thromboxane synthetase				J Med Chem 24: 1139-48 (1982) Article DOI: 10.1021/jm00142a005 BindingDB Entry DOI: 10.7270/Q2KK9CB6
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of human platelet rich plasma in the presence of pig aortal microsomes				J Med Chem 32: 890-7 (1989) Article DOI: 10.1021/jm00124a027 BindingDB Entry DOI: 10.7270/Q26W993X
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested in vitro against TXA2 synthetase inhibitory activity in rat whole blood				J Med Chem 36: 4061-8 (1994) Article DOI: 10.1021/jm00077a009 BindingDB Entry DOI: 10.7270/Q2QJ7GBK
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested in vitro against TXA2 synthetase inhibitory activity in human platelet				J Med Chem 36: 4061-8 (1994) Article DOI: 10.1021/jm00077a009 BindingDB Entry DOI: 10.7270/Q2QJ7GBK
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood				J Med Chem 36: 4061-8 (1994) Article DOI: 10.1021/jm00077a009 BindingDB Entry DOI: 10.7270/Q2QJ7GBK
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia-Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets				J Med Chem 37: 3588-604 (1994) Article DOI: 10.1021/jm00047a016 BindingDB Entry DOI: 10.7270/Q2C24VFD
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia-Farmitalia Carlo Erba Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade				J Med Chem 37: 3588-604 (1994) Article DOI: 10.1021/jm00047a016 BindingDB Entry DOI: 10.7270/Q2C24VFD
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested in vitro against TXA2 synthetase inhibitory activity in human platelet				J Med Chem 36: 4061-8 (1994) Article DOI: 10.1021/jm00077a009 BindingDB Entry DOI: 10.7270/Q2QJ7GBK
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet				J Med Chem 36: 4061-8 (1994) Article DOI: 10.1021/jm00077a009 BindingDB Entry DOI: 10.7270/Q2QJ7GBK
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Nikken Chemicals Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]				Bioorg Med Chem Lett 12: 771-4 (2002) Article DOI: 10.1016/s0960-894x(02)00005-7 BindingDB Entry DOI: 10.7270/Q23X85ZH
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Nikken Chemicals Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.				Bioorg Med Chem Lett 12: 341-4 (2002) Article DOI: 10.1016/s0960-894x(01)00731-4 BindingDB Entry DOI: 10.7270/Q2ST7P56
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Nikken Chemicals Co., Ltd. Curated by ChEMBL					Assay Description Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes				Bioorg Med Chem Lett 12: 1383-6 (2002) Article DOI: 10.1016/s0960-894x(02)00186-5 BindingDB Entry DOI: 10.7270/Q2MG7NT9
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Thromboxane A2 synthase in human platelet microsome				Bioorg Med Chem Lett 5: 1087-1090 (1995) Article DOI: 10.1016/0960-894X(95)00171-O BindingDB Entry DOI: 10.7270/Q2XG9R3P
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50017896 ((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...) Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Southern Research Institute Curated by PubChem BioAssay									PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF
					More data for this Ligand-Target Pair