BDBM50002805 (daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid::BM 13505::BM-13505::CHEMBL71685::Daltroban::{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid

SMILES: OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=IULOBWFWYDMECP-UHFFFAOYSA-N

Data: 3 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50002805   

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))	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	5.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Squibb Institute for Medical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 245: 786-92 (1988) BindingDB Entry DOI: 10.7270/Q2D21W4Z
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Squibb Institute for Medical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 245: 786-92 (1988) BindingDB Entry DOI: 10.7270/Q2D21W4Z
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	63	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/ Prostaglandin H2 receptor by measuring its ability to displace [3H]-U-46,619 from gui...				J Med Chem 35: 3402-13 (1992) BindingDB Entry DOI: 10.7270/Q2J38RG1
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (RAT)	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro thromboxane A2 antagonistic activity of the compound on U-46619 (0.1 uM) induced contraction of rat aorta				Bioorg Med Chem Lett 9: 401-6 (1999) BindingDB Entry DOI: 10.7270/Q2GB2363
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Rattus norvegicus)	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	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 inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade				J Med Chem 37: 3588-604 (1994) BindingDB Entry DOI: 10.7270/Q2C24VFD
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro thromboxane A2 antagonistic activity on aggregation of rabbit platelets induced by U-46,619 (4 uM)				Bioorg Med Chem Lett 9: 401-6 (1999) BindingDB Entry DOI: 10.7270/Q2GB2363
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50002805 ((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...) Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	150	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) BindingDB Entry DOI: 10.7270/Q2C24VFD
					More data for this Ligand-Target Pair