BDBM50235372 CHEMBL3966307

SMILES: OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1

InChI Key: InChIKey=DNBJSWUQGXMSOJ-HDICACEKSA-N

Data: 1 IC50  3 EC50

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 4 hits for monomerid = 50235372   

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
PTGIR (RAT)	BDBM50235372 (CHEMBL3966307) Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(14.02,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.02,-35.33,;19.36,-34.56,;19.36,-33.02,;20.69,-32.25,;22.03,-33.02,;23.36,-32.25,;24.69,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.69,-35.33,;28.69,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.69,-32.25,;30.03,-33.02,;31.36,-32.25,;31.36,-30.71,;30.03,-29.94,;30.03,-28.4,;28.69,-30.71,;22.03,-34.56,;20.69,-35.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	272	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by H...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50235372 (CHEMBL3966307) Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(14.02,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.02,-35.33,;19.36,-34.56,;19.36,-33.02,;20.69,-32.25,;22.03,-33.02,;23.36,-32.25,;24.69,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.69,-35.33,;28.69,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.69,-32.25,;30.03,-33.02,;31.36,-32.25,;31.36,-30.71,;30.03,-29.94,;30.03,-28.4,;28.69,-30.71,;22.03,-34.56,;20.69,-35.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at recombinant human DP1 receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation b...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50235372 (CHEMBL3966307) Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(14.02,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.02,-35.33,;19.36,-34.56,;19.36,-33.02,;20.69,-32.25,;22.03,-33.02,;23.36,-32.25,;24.69,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.69,-35.33,;28.69,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.69,-32.25,;30.03,-33.02,;31.36,-32.25,;31.36,-30.71,;30.03,-29.94,;30.03,-28.4,;28.69,-30.71,;22.03,-34.56,;20.69,-35.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50235372 (CHEMBL3966307) Show SMILES OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(14.02,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.02,-35.33,;19.36,-34.56,;19.36,-33.02,;20.69,-32.25,;22.03,-33.02,;23.36,-32.25,;24.69,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.69,-35.33,;28.69,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.69,-32.25,;30.03,-33.02,;31.36,-32.25,;31.36,-30.71,;30.03,-29.94,;30.03,-28.4,;28.69,-30.71,;22.03,-34.56,;20.69,-35.33,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-5-4-8-21(13-19)25(20-6-2-1-3-7-20)23(28)30-15-18-11-9-17(10-12-18)14-29-16-22(26)27/h1-8,13,17-18H,9-12,14-16H2,(H,26,27)/t17-,18+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by...				J Med Chem 60: 913-927 (2017) Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM
					More data for this Ligand-Target Pair