Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium/bile acid cotransporter' and Ligand = 'BDBM50576168'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50576168 (CHEMBL4855155) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576168 (CHEMBL4855155) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 20 % FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576168 (CHEMBL4855155) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 50 % FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair