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SMILES: Brc1ccc2N(Cc3ccncc3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1

InChI Key: InChIKey=KKJDDDDRLAXELB-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 = 225982   
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))		BDBM225982
PNG
(FXR_75)
Show SMILES Brc1ccc2N(Cc3ccncc3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1S/C22H20BrN3O3S2/c23-17-3-4-19-18(14-17)22(21(27)26(19)15-16-5-9-24-10-6-16)7-11-25(12-8-22)31(28,29)20-2-1-13-30-20/h1-6,9-10,13-14H,7-8,11-12,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a>1.00E+5n/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