Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM50188611'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188611 (CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...) Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188611 (CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...) Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188611 (CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...) Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188611 (CHEMBL211008 | N-n-heptyl-N'-[2-(cyclohexylamino)-...) Show SMILES CCCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C20H32N4O5S/c1-2-3-4-5-9-14-21-20(25)23-30(28,29)19-15-17(24(26)27)12-13-18(19)22-16-10-7-6-8-11-16/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Activity at TPalpha (short isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair