BDBM50138052 CHEMBL3751951

SMILES: O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1

InChI Key: InChIKey=URMNVJYXANRVOF-WIJLQKJISA-N

Data: 1 KI  6 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 7 hits for monomerid = 50138052   

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
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human EP1 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human EP3 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...				Bioorg Med Chem 26: 200-214 (2018) Article DOI: 10.1016/j.bmc.2017.11.035 BindingDB Entry DOI: 10.7270/Q2FF3VZ5
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.670	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at recombinant human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level by EIA				Bioorg Med Chem 26: 200-214 (2018) Article DOI: 10.1016/j.bmc.2017.11.035 BindingDB Entry DOI: 10.7270/Q2FF3VZ5
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	339	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at recombinant human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level by EIA				Bioorg Med Chem 26: 200-214 (2018) Article DOI: 10.1016/j.bmc.2017.11.035 BindingDB Entry DOI: 10.7270/Q2FF3VZ5
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human EP2 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50138052 (CHEMBL3751951) Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r| Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	195	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human EP4 receptor				Bioorg Med Chem Lett 26: 1016-9 (2016) BindingDB Entry DOI: 10.7270/Q2JS9S81
					More data for this Ligand-Target Pair