BDBM50322504 (2S)-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-(3-methoxyphenylamino)-5-oxopentanoate::CHEMBL1170063

SMILES: COc1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)c1

InChI Key: InChIKey=XYHXOXLNFIHBCY-SHZFHUAASA-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 = 50322504   

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))	BDBM50322504 ((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...) Show SMILES COc1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)c1 |r| Show InChI InChI=1S/C36H54N2O7/c1-21(8-12-32(42)38-29(34(43)44)11-13-31(41)37-23-6-5-7-25(20-23)45-4)26-9-10-27-33-28(15-17-36(26,27)3)35(2)16-14-24(39)18-22(35)19-30(33)40/h5-7,20-22,24,26-30,33,39-40H,8-19H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t21-,22-,24-,26-,27+,28+,29+,30-,33+,35+,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.22E+3	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