BindingDB PrimarySearch

BDBM50167161 (E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-biphenyl-4-ylmethyl)-amino]-phenyl}-acrylic acid methyl ester::CHEMBL192966

SMILES: COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1

InChI Key: InChIKey=VLQTUNDJHLEFEQ-KGENOOAVSA-N

Data: 1 Kd 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50167161
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Universidade de São Paulo Curated by ChEMBL					Assay Description Effective concentration against farnesoid X receptor (FXR)				Bioorg Med Chem Lett 15: 3119-25 (2005) Article DOI: 10.1016/j.bmcl.2005.04.017 BindingDB Entry DOI: 10.7270/Q2125S6Q
Universidade de São Paulo Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Effective concentration towards farnesoid X receptor (FXR)				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Natural Medicines, China Pharmaceutical University, Tongjiaxiang#24, Nanjing 210009, China; Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, T Curated by ChEMBL					Assay Description Binding affinity to FXR (unknown origin)				Bioorg Med Chem Lett 27: 3386-3390 (2017) Article DOI: 10.1016/j.bmcl.2017.06.003 BindingDB Entry DOI: 10.7270/Q2C82CSD
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at FXR				Bioorg Med Chem Lett 22: 6848-53 (2012) Article DOI: 10.1016/j.bmcl.2012.09.045 BindingDB Entry DOI: 10.7270/Q2GX4CP9
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Agonist activity at FXR				Nat Chem Biol 1: 74-84 (2006) Article DOI: 10.1038/nchembio0705-74 BindingDB Entry DOI: 10.7270/Q2MC9118
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167161 ((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Effective concentration against farnesoid X receptor (FXR)				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
The Scripps Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair