BDBM50322507 (2S)-5-(3-tert-butylphenylamino)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-5-oxopentanoate::CHEMBL1170066

SMILES: C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(c1)C(C)(C)C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=NUQPMWMOYJWFQT-VSDBRFRMSA-N

Data: 1 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 1 hit for monomerid = 50322507   

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
Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human))	BDBM50322507 ((2S)-5-(3-tert-butylphenylamino)-2-((4R)-4-((3R,7R...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(c1)C(C)(C)C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C39H60N2O6/c1-23(10-14-34(45)41-31(36(46)47)13-15-33(44)40-26-9-7-8-24(20-26)37(2,3)4)28-11-12-29-35-30(17-19-39(28,29)6)38(5)18-16-27(42)21-25(38)22-32(35)43/h7-9,20,23,25,27-32,35,42-43H,10-19,21-22H2,1-6H3,(H,40,44)(H,41,45)(H,46,47)/t23-,25-,27-,28-,29+,30+,31+,32-,35+,38+,39-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	587	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting				J Med Chem 53: 4749-60 (2010) Article DOI: 10.1021/jm1003683 BindingDB Entry DOI: 10.7270/Q2H70G0G
					More data for this Ligand-Target Pair