BDBM50391312 CHEMBL345876

SMILES: CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1

InChI Key: InChIKey=GQISCPGEZUUCRE-STHJYCLQSA-N

Data: 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 2 hits for monomerid = 50391312   

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))	BDBM50391312 (CHEMBL345876) Show SMILES CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C33H46N2O4/c1-33(2,3)28-18-19-34-23-27(28)26-14-12-25(13-15-26)24-39-30-17-16-29(35-20-8-4-5-9-21-35)32(30)38-22-10-6-7-11-31(36)37/h6,10,12-15,18-19,23,29-30,32H,4-5,7-9,11,16-17,20-22,24H2,1-3H3,(H,36,37)/b10-6-/t29-,30+,32+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	3.16	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)	BDBM50391312 (CHEMBL345876) Show SMILES CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@@H]([C@H]2OC\C=C/CCC(O)=O)N2CCCCCC2)cc1 Show InChI InChI=1S/C33H46N2O4/c1-33(2,3)28-18-19-34-23-27(28)26-14-12-25(13-15-26)24-39-30-17-16-29(35-20-8-4-5-9-21-35)32(30)38-22-10-6-7-11-31(36)37/h6,10,12-15,18-19,23,29-30,32H,4-5,7-9,11,16-17,20-22,24H2,1-3H3,(H,36,37)/b10-6-/t29-,30+,32+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	3.16	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