BDBM50002751 11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid::CHEMBL324364

SMILES: OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1

InChI Key: InChIKey=QTZKOUSSPHZWGR-NTCAYCPXSA-N

Data: 6 KI  4 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 10 hits for monomerid = 50002751   

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 receptor (Homo sapiens (Human))	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]-U-46,619 as radioligand				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets ...				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity at TXA2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]-U-46,619 from guinea pig platelets				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound against thromboxane A2 synthase binding to bovine platelets				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound against thromboxane A2 synthase binding to bovine platelets				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50002751 (11-[2-(2-Phenyl-ethenesulfonylamino)-ethylsulfanyl...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCNS(=O)(=O)\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C25H23NO5S2/c27-25(28)19-10-11-23-22(16-19)24(21-9-5-4-8-20(21)17-31-23)32-14-13-26-33(29,30)15-12-18-6-2-1-3-7-18/h1-12,15-16,24,26H,13-14,17H2,(H,27,28)/b15-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Thromboxane A2 synthase obtained from bovine platelet microsomes				J Med Chem 35: 3394-402 (1992) BindingDB Entry DOI: 10.7270/Q2NS0SV5
					More data for this Ligand-Target Pair