BDBM50420205 CHEMBL2074778

SMILES: Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1OS(O)(=O)=O

InChI Key: InChIKey=NLJKZNWTIBFEPA-UHFFFAOYSA-N

Data: 2 IC50

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 = 50420205   

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 salt export pump (Rattus norvegicus)	BDBM50420205 (CHEMBL2074778) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1OS(O)(=O)=O Show InChI InChI=1S/C24H27NO8S2/c1-13-14(2)21-18(15(3)20(13)33-35(28,29)30)9-10-24(4,32-21)12-31-17-7-5-16(6-8-17)11-19-22(26)25-23(27)34-19/h5-8,26H,9-12H2,1-4H3,(H,25,27)(H,28,29,30)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from female rat				Toxicology 167: 83-98 (2001) BindingDB Entry DOI: 10.7270/Q2HT2QKM
					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM50420205 (CHEMBL2074778) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1OS(O)(=O)=O Show InChI InChI=1S/C24H27NO8S2/c1-13-14(2)21-18(15(3)20(13)33-35(28,29)30)9-10-24(4,32-21)12-31-17-7-5-16(6-8-17)11-19-22(26)25-23(27)34-19/h5-8,26H,9-12H2,1-4H3,(H,25,27)(H,28,29,30)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from male rat				Toxicology 167: 83-98 (2001) BindingDB Entry DOI: 10.7270/Q2HT2QKM
					More data for this Ligand-Target Pair