BDBM50130901 CHEMBL3632948

SMILES: [H][C@@]1(CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)[C@H](C)CC[C@H](O)C(C)(C)O

InChI Key: InChIKey=OKSOIVLQNAAMNU-QXGHGRIXSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50130901   

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 FXR (Homo sapiens (Human))	BDBM50130901 (CHEMBL3632948) Show SMILES [H][C@@]1(CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)[C@H](C)CC[C@H](O)C(C)(C)O |r,t:7,9| Show InChI InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h10-11,19-20,22,25,32-33H,9,12-18H2,1-8H3/t19-,20-,22+,25+,28+,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Transactivation of FXR (unknown origin) transfected in HepG2 cells co-expressing pBSEP/pGL4.74 incubated for 24 hrs by luciferase reporter gene assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111652
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50130901 (CHEMBL3632948) Show SMILES [H][C@@]1(CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)[C@H](C)CC[C@H](O)C(C)(C)O |r,t:7,9| Show InChI InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h10-11,19-20,22,25,32-33H,9,12-18H2,1-8H3/t19-,20-,22+,25+,28+,29+,30+/m1/s1	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Liaoning University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay				J Nat Prod 78: 2372-80 (2015) BindingDB Entry DOI: 10.7270/Q20K2BDR
					More data for this Ligand-Target Pair