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BDBM36337 CID24762167::{4-[2-trans-(4-Amino-cyclohexylamino)-9-(3-benzyloxy-phenyl)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone, 5

SMILES: NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(OCc4ccccc4)c3)c2n1

InChI Key: InChIKey=AWCNCBAUXOAKPA-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 36337   
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
Calcium-dependent protein kinase 1


(Plasmodium Falciparum)
BDBM36337
PNG
(CID24762167 | {4-[2-trans-(4-Amino-cyclohexylamino...)
Show SMILES NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(OCc4ccccc4)c3)c2n1 |(7.08,8.91,;7.08,7.37,;8.41,6.6,;8.41,5.06,;7.08,4.29,;5.75,5.06,;5.75,6.6,;7.08,2.75,;8.41,1.98,;8.41,.44,;9.75,-.33,;9.75,-1.87,;8.41,-2.64,;8.41,-4.18,;7.08,-4.95,;5.75,-4.18,;5.75,-2.64,;7.08,-1.87,;4.41,-4.95,;3.08,-4.18,;4.41,-6.49,;3.08,-7.26,;3.08,-8.8,;4.41,-9.57,;5.75,-8.8,;5.75,-7.26,;11.08,.44,;12.54,-.03,;13.44,1.21,;12.54,2.45,;13.02,3.91,;11.99,5.06,;12.47,6.52,;13.97,6.84,;15,5.69,;16.51,6.01,;16.99,7.47,;18.5,7.79,;18.97,9.25,;20.48,9.57,;21.51,8.43,;21.03,6.96,;19.52,6.64,;14.52,4.23,;11.08,1.98,;9.75,2.75,)|
Show InChI InChI=1S/C36H40N8O2/c37-27-14-18-29(19-15-27)40-36-41-33(39-28-16-12-26(13-17-28)35(45)43-20-5-2-6-21-43)32-34(42-36)44(24-38-32)30-10-7-11-31(22-30)46-23-25-8-3-1-4-9-25/h1,3-4,7-13,16-17,22,24,27,29H,2,5-6,14-15,18-21,23,37H2,(H2,39,40,41,42)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 312n/an/a7.524



The Scripps Research Institute





Nat Chem Biol 4: 347-56 (2008)


Article DOI: 10.1038/nchembio.87
More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1


(Plasmodium Falciparum)
BDBM36337
PNG
(CID24762167 | {4-[2-trans-(4-Amino-cyclohexylamino...)
Show SMILES NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(OCc4ccccc4)c3)c2n1 |(7.08,8.91,;7.08,7.37,;8.41,6.6,;8.41,5.06,;7.08,4.29,;5.75,5.06,;5.75,6.6,;7.08,2.75,;8.41,1.98,;8.41,.44,;9.75,-.33,;9.75,-1.87,;8.41,-2.64,;8.41,-4.18,;7.08,-4.95,;5.75,-4.18,;5.75,-2.64,;7.08,-1.87,;4.41,-4.95,;3.08,-4.18,;4.41,-6.49,;3.08,-7.26,;3.08,-8.8,;4.41,-9.57,;5.75,-8.8,;5.75,-7.26,;11.08,.44,;12.54,-.03,;13.44,1.21,;12.54,2.45,;13.02,3.91,;11.99,5.06,;12.47,6.52,;13.97,6.84,;15,5.69,;16.51,6.01,;16.99,7.47,;18.5,7.79,;18.97,9.25,;20.48,9.57,;21.51,8.43,;21.03,6.96,;19.52,6.64,;14.52,4.23,;11.08,1.98,;9.75,2.75,)|
Show InChI InChI=1S/C36H40N8O2/c37-27-14-18-29(19-15-27)40-36-41-33(39-28-16-12-26(13-17-28)35(45)43-20-5-2-6-21-43)32-34(42-36)44(24-38-32)30-10-7-11-31(22-30)46-23-25-8-3-1-4-9-25/h1,3-4,7-13,16-17,22,24,27,29H,2,5-6,14-15,18-21,23,37H2,(H2,39,40,41,42)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.04E+3n/an/an/an/a7.524



The Scripps Research Institute



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Nat Chem Biol 4: 347-56 (2008)


Article DOI: 10.1038/nchembio.87
More data for this
Ligand-Target Pair