BDBM50372058 CHEMBL404199

SMILES: COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1

InChI Key: InChIKey=FJMQKJOWJVMHPQ-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50372058   

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 EP4 subtype (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human EP4 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human EP4 receptor expressed in HEK293 cells in presence of 10% human serum				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human TP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human DP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human EP2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human FP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human IP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human EP3 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50372058 (CHEMBL404199) Show SMILES COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1 Show InChI InChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human EP1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair