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BDBM50485604 BOSENTAN M2

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nc(nc(OCCO)c1Cc1ccccc1O)-c1ncccn1

InChI Key: InChIKey=QOGJFOURIDFEQJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485604   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bile salt export pump


(Rattus norvegicus)		BDBM50485604
PNG
(BOSENTAN M2)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nc(nc(OCCO)c1Cc1ccccc1O)-c1ncccn1
Show InChI InChI=1S/C27H29N5O5S/c1-27(2,3)19-9-11-20(12-10-19)38(35,36)32-23-21(17-18-7-4-5-8-22(18)34)26(37-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.50E+3n/an/an/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicle from Bsep-expressing Sf9-cell

Clin Pharmacol Ther 69: 223-31 (2001)


Article DOI: 10.1067/mcp.2001.114667
BindingDB Entry DOI: 10.7270/Q2QV3QCH
More data for this
Ligand-Target Pair