BDBM190268 US9180116, 2C

SMILES: CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O

InChI Key: InChIKey=ZSUOOBFOIDLLEI-GPVXIOJZSA-N

Data: 4 KI  2 IC50  7 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 12 hits for monomerid = 190268   

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 (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.490	n/a	1.30	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0880	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current amplitude by automated patch-clamp method				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.36E+3	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	37
Cayman Chemical Company, Inc. US Patent					Assay Description 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 ul of reduced serum medium containing 0.5% FBS. Place the p...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.0380	n/a	n/a	n/a	37
Cayman Chemical Company, Inc. US Patent					Assay Description 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 ul of reduced serum medium containing 0.5% FBS. Place the p...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.240	n/a	n/a	n/a	37
Cayman Chemical Company, Inc. US Patent					Assay Description 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 uL of reduced serum medium containing 0.5% FBS. Place the p...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336
					More data for this Ligand-Target Pair