BDBM50323537 3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)pyridin-2-yl)(methyl)amino)methyl)benzoic acid::CHEMBL1209228

SMILES: CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=IIBBKFGPSAHSTP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50323537   

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
Bile acid receptor (Homo sapiens (Human))	BDBM50323537 (3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...) Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)| Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	61	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct r...				Bioorg Med Chem Lett 20: 4911-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.084 BindingDB Entry DOI: 10.7270/Q21V5F52
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50323537 (3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...) Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)| Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay				Bioorg Med Chem Lett 20: 4911-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.084 BindingDB Entry DOI: 10.7270/Q21V5F52
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50323537 (3-(((3-chloro-5-((3-(2,6-dichlorophenyl)-5-isoprop...) Show SMILES CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)| Show InChI InChI=1S/C27H24Cl3N3O4/c1-15(2)25-19(24(32-37-25)23-20(28)8-5-9-21(23)29)14-36-18-11-22(30)26(31-12-18)33(3)13-16-6-4-7-17(10-16)27(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay				Bioorg Med Chem Lett 20: 4911-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.084 BindingDB Entry DOI: 10.7270/Q21V5F52
					More data for this Ligand-Target Pair