null

SMILES: C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=DZZNYSJEBLGTIR-PDUNRGLLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157074   

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
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157074 (CHEMBL182671 | {(R)-4-[(4R,10aS,12aR)-4-Hydroxy-8-...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C34H47N3O5/c1-20(7-10-30(40)35-17-31(41)42)25-8-9-26-32-27(11-12-33(25,26)2)34(3)16-22-19-37(18-21-5-4-6-24(38)13-21)36-28(22)14-23(34)15-29(32)39/h4-6,13,19-20,23,25-27,29,32,38-39H,7-12,14-18H2,1-3H3,(H,35,40)(H,41,42)/t20-,23?,25?,26?,27?,29-,32?,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157074 (CHEMBL182671 | {(R)-4-[(4R,10aS,12aR)-4-Hydroxy-8-...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C34H47N3O5/c1-20(7-10-30(40)35-17-31(41)42)25-8-9-26-32-27(11-12-33(25,26)2)34(3)16-22-19-37(18-21-5-4-6-24(38)13-21)36-28(22)14-23(34)15-29(32)39/h4-6,13,19-20,23,25-27,29,32,38-39H,7-12,14-18H2,1-3H3,(H,35,40)(H,41,42)/t20-,23?,25?,26?,27?,29-,32?,33-,34+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to human ileal bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair