BDBM50391304 CHEMBL350292

SMILES: CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1

InChI Key: InChIKey=VKYMAXGZPKUBLB-ORSPOGDCSA-N

Data: 1 IC50  2 Kd

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 3 hits for monomerid = 50391304   

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 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50391304 (CHEMBL350292) Show SMILES CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C31H42N2O4/c1-2-25-22-32-18-17-27(25)26-13-11-24(12-14-26)23-37-29-16-15-28(33-19-7-3-4-8-20-33)31(29)36-21-9-5-6-10-30(34)35/h5,9,11-14,17-18,22,28-29,31H,2-4,6-8,10,15-16,19-21,23H2,1H3,(H,34,35)/b9-5-/t28-,29+,31+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro TXA2 synthase antagonism through inhibition of collagen induced thromboxane-A2 production in human citrated whole blood				Bioorg Med Chem Lett 1: 695-698 (1991) Checked by Author Article DOI: 10.1016/S0960-894X(01)81050-7 BindingDB Entry DOI: 10.7270/Q2125TT6
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50391304 (CHEMBL350292) Show SMILES CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C31H42N2O4/c1-2-25-22-32-18-17-27(25)26-13-11-24(12-14-26)23-37-29-16-15-28(33-19-7-3-4-8-20-33)31(29)36-21-9-5-6-10-30(34)35/h5,9,11-14,17-18,22,28-29,31H,2-4,6-8,10,15-16,19-21,23H2,1H3,(H,34,35)/b9-5-/t28-,29+,31+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood.				Bioorg Med Chem Lett 1: 695-698 (1991) Checked by Author Article DOI: 10.1016/S0960-894X(01)81050-7 BindingDB Entry DOI: 10.7270/Q2125TT6
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (RAT)	BDBM50391304 (CHEMBL350292) Show SMILES CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C31H42N2O4/c1-2-25-22-32-18-17-27(25)26-13-11-24(12-14-26)23-37-29-16-15-28(33-19-7-3-4-8-20-33)31(29)36-21-9-5-6-10-30(34)35/h5,9,11-14,17-18,22,28-29,31H,2-4,6-8,10,15-16,19-21,23H2,1H3,(H,34,35)/b9-5-/t28-,29+,31+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced contraction of rat isolated thoracic aortic strip				Bioorg Med Chem Lett 1: 695-698 (1991) Checked by Author Article DOI: 10.1016/S0960-894X(01)81050-7 BindingDB Entry DOI: 10.7270/Q2125TT6
					More data for this Ligand-Target Pair