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SMILES: CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1

InChI Key: InChIKey=CIINRYINLDSICD-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225955   
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 acid receptor


(Homo sapiens (Human))		BDBM225955
PNG
(FXR_45)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C27H23F3N4O6S2/c1-2-39-26(36)17-5-7-18(8-6-17)31-25(35)24-21-16-33(42(37,38)23-4-3-15-41-23)14-13-22(21)32-34(24)19-9-11-20(12-10-19)40-27(28,29)30/h3-12,15H,2,13-14,16H2,1H3,(H,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.89E+4n/an/an/an/a7.4n/a



D3R



Assay Description
The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...

D3R 882: (2017)


BindingDB Entry DOI: 10.7270/Q2MC8XWV
More data for this
Ligand-Target Pair