BDBM50002755 11-[2-(Benzenesulfonyl-methyl-amino)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid::CHEMBL114424

SMILES: CN(CCSC1c2ccccc2COc2ccc(cc12)C(O)=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=GODBHXSVNOESLI-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50002755   

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))	BDBM50002755 (11-[2-(Benzenesulfonyl-methyl-amino)-ethylsulfanyl...) Show SMILES CN(CCSC1c2ccccc2COc2ccc(cc12)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H23NO5S2/c1-25(32(28,29)19-8-3-2-4-9-19)13-14-31-23-20-10-6-5-7-18(20)16-30-22-12-11-17(24(26)27)15-21(22)23/h2-12,15,23H,13-14,16H2,1H3,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	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))	BDBM50002755 (11-[2-(Benzenesulfonyl-methyl-amino)-ethylsulfanyl...) Show SMILES CN(CCSC1c2ccccc2COc2ccc(cc12)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H23NO5S2/c1-25(32(28,29)19-8-3-2-4-9-19)13-14-31-23-20-10-6-5-7-18(20)16-30-22-12-11-17(24(26)27)15-21(22)23/h2-12,15,23H,13-14,16H2,1H3,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	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 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50002755 (11-[2-(Benzenesulfonyl-methyl-amino)-ethylsulfanyl...) Show SMILES CN(CCSC1c2ccccc2COc2ccc(cc12)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H23NO5S2/c1-25(32(28,29)19-8-3-2-4-9-19)13-14-31-23-20-10-6-5-7-18(20)16-30-22-12-11-17(24(26)27)15-21(22)23/h2-12,15,23H,13-14,16H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+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 TXA2 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
Thromboxane-A synthase (Rattus norvegicus)	BDBM50002755 (11-[2-(Benzenesulfonyl-methyl-amino)-ethylsulfanyl...) Show SMILES CN(CCSC1c2ccccc2COc2ccc(cc12)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H23NO5S2/c1-25(32(28,29)19-8-3-2-4-9-19)13-14-31-23-20-10-6-5-7-18(20)16-30-22-12-11-17(24(26)27)15-21(22)23/h2-12,15,23H,13-14,16H2,1H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+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