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BDBM50268444 6-((3'-(dimethylamino)biphenyl-3-yl)methylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile::CHEMBL495803

SMILES: CN(C)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

InChI Key: InChIKey=KRPQJLQXOMQLEZ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50268444   
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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50268444
PNG
(6-((3'-(dimethylamino)biphenyl-3-yl)methylamino)-9...)
Show SMILES CN(C)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C24H25N7O/c1-30(2)20-9-4-8-19(13-20)18-7-3-6-17(12-18)15-26-23-22-24(29-21(14-25)28-23)31(16-27-22)10-5-11-32/h3-4,6-9,12-13,16,32H,5,10-11,15H2,1-2H3,(H,26,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50268444
PNG
(6-((3'-(dimethylamino)biphenyl-3-yl)methylamino)-9...)
Show SMILES CN(C)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C24H25N7O/c1-30(2)20-9-4-8-19(13-20)18-7-3-6-17(12-18)15-26-23-22-24(29-21(14-25)28-23)31(16-27-22)10-5-11-32/h3-4,6-9,12-13,16,32H,5,10-11,15H2,1-2H3,(H,26,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50268444
PNG
(6-((3'-(dimethylamino)biphenyl-3-yl)methylamino)-9...)
Show SMILES CN(C)c1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C24H25N7O/c1-30(2)20-9-4-8-19(13-20)18-7-3-6-17(12-18)15-26-23-22-24(29-21(14-25)28-23)31(16-27-22)10-5-11-32/h3-4,6-9,12-13,16,32H,5,10-11,15H2,1-2H3,(H,26,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair