BDBM50391305 CHEMBL433884

SMILES: OC(=O)CC\C=C/CO[C@H]1[C@@H](CC[C@@H]1N1CCCCCC1)OCc1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=YKPJTNNQDJFQBF-HLOJMEPRSA-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 = 50391305   

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))	BDBM50391305 (CHEMBL433884) Show SMILES OC(=O)CC\C=C/CO[C@H]1[C@@H](CC[C@@H]1N1CCCCCC1)OCc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C29H38N2O4/c32-28(33)10-4-3-7-20-34-29-26(31-18-5-1-2-6-19-31)15-16-27(29)35-22-23-11-13-24(14-12-23)25-9-8-17-30-21-25/h3,7-9,11-14,17,21,26-27,29H,1-2,4-6,10,15-16,18-20,22H2,(H,32,33)/b7-3-/t26-,27+,29+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	631	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))	BDBM50391305 (CHEMBL433884) Show SMILES OC(=O)CC\C=C/CO[C@H]1[C@@H](CC[C@@H]1N1CCCCCC1)OCc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C29H38N2O4/c32-28(33)10-4-3-7-20-34-29-26(31-18-5-1-2-6-19-31)15-16-27(29)35-22-23-11-13-24(14-12-23)25-9-8-17-30-21-25/h3,7-9,11-14,17,21,26-27,29H,1-2,4-6,10,15-16,18-20,22H2,(H,32,33)/b7-3-/t26-,27+,29+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	12.6	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)	BDBM50391305 (CHEMBL433884) Show SMILES OC(=O)CC\C=C/CO[C@H]1[C@@H](CC[C@@H]1N1CCCCCC1)OCc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C29H38N2O4/c32-28(33)10-4-3-7-20-34-29-26(31-18-5-1-2-6-19-31)15-16-27(29)35-22-23-11-13-24(14-12-23)25-9-8-17-30-21-25/h3,7-9,11-14,17,21,26-27,29H,1-2,4-6,10,15-16,18-20,22H2,(H,32,33)/b7-3-/t26-,27+,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	39.8	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