BDBM50394646 CHEMBL2164608

SMILES: COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N

InChI Key: InChIKey=MDRAJBLIYXCTEC-BTSHEXGNSA-N

Data: 4 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 4 hits for monomerid = 50394646   

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))	BDBM50394646 (CHEMBL2164608) Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting				ACS Med Chem Lett 3: 774-779 (2012) Article DOI: 10.1021/ml300191g BindingDB Entry DOI: 10.7270/Q2DZ09D3
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50394646 (CHEMBL2164608) Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting				ACS Med Chem Lett 3: 774-779 (2012) Article DOI: 10.1021/ml300191g BindingDB Entry DOI: 10.7270/Q2DZ09D3
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50394646 (CHEMBL2164608) Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting				ACS Med Chem Lett 3: 774-779 (2012) Article DOI: 10.1021/ml300191g BindingDB Entry DOI: 10.7270/Q2DZ09D3
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50394646 (CHEMBL2164608) Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting				ACS Med Chem Lett 3: 774-779 (2012) Article DOI: 10.1021/ml300191g BindingDB Entry DOI: 10.7270/Q2DZ09D3
					More data for this Ligand-Target Pair