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SMILES: CCOC(=O)c1cccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=YRIRNRYPCNLJFE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225957   
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))		BDBM225957
PNG
(FXR_47)
Show SMILES CCOC(=O)c1cccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C26H24N4O5S2/c1-2-35-26(32)18-8-6-9-19(16-18)27-25(31)24-21-17-29(37(33,34)23-12-7-15-36-23)14-13-22(21)28-30(24)20-10-4-3-5-11-20/h3-12,15-16H,2,13-14,17H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem
D3R
n/an/a 2.10E+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