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SMILES: O=C(Nc1ccccc1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1

InChI Key: InChIKey=GKTFEEDBPRXCQG-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 = 226000   
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))		BDBM226000
PNG
(FXR_93)
Show SMILES O=C(Nc1ccccc1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C24H21N3O3S2/c28-24(25-20-10-5-2-6-11-20)27-21(18-8-3-1-4-9-18)16-19-13-14-26(17-22(19)27)32(29,30)23-12-7-15-31-23/h1-12,15-16H,13-14,17H2,(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 4.67E+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