BDBM36343 CID24762173::N2-trans-(4-Amino-cyclohexyl)-N6-(4-morpholin-4-ylmethyl-phenyl)-9-phenyl-9H-purine-2,6-diamine, 11

SMILES: N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(-c3ccccc3)c2n1

InChI Key: InChIKey=WXTHNIOSZSQDJR-AFARHQOCSA-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 = 36343   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM36343 (CID24762173 | N2-trans-(4-Amino-cyclohexyl)-N6-(4-...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(-c3ccccc3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.08,;-7.34,.31,;-7.34,-1.23,;-6,-2,;-4.67,-1.23,;-4.67,.31,;-6,1.08,;-3.33,-2,;-2,-1.23,;-2,.31,;-.67,1.08,;-.67,2.62,;.67,3.39,;2,2.62,;3.33,3.39,;3.33,4.93,;4.67,5.7,;6,4.93,;6,3.39,;7.34,2.62,;8.67,3.39,;8.67,4.93,;7.34,5.7,;2,5.7,;.67,4.93,;.67,.31,;2.13,.79,;3.04,-.46,;2.13,-1.7,;2.9,-3.04,;2.13,-4.37,;2.9,-5.7,;4.44,-5.7,;5.21,-4.37,;4.44,-3.04,;.67,-1.23,;-.67,-2,)| Show InChI InChI=1S/C28H34N8O/c29-21-8-12-23(13-9-21)32-28-33-26(25-27(34-28)36(19-30-25)24-4-2-1-3-5-24)31-22-10-6-20(7-11-22)18-35-14-16-37-17-15-35/h1-7,10-11,19,21,23H,8-9,12-18,29H2,(H2,31,32,33,34)/t21-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	174	n/a	n/a	7.5	24
The Scripps Research Institute									Nat Chem Biol 4: 347-56 (2008) Article DOI: 10.1038/nchembio.87 BindingDB Entry DOI: 10.7270/Q2TB1573
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM36343 (CID24762173 | N2-trans-(4-Amino-cyclohexyl)-N6-(4-...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(-c3ccccc3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.08,;-7.34,.31,;-7.34,-1.23,;-6,-2,;-4.67,-1.23,;-4.67,.31,;-6,1.08,;-3.33,-2,;-2,-1.23,;-2,.31,;-.67,1.08,;-.67,2.62,;.67,3.39,;2,2.62,;3.33,3.39,;3.33,4.93,;4.67,5.7,;6,4.93,;6,3.39,;7.34,2.62,;8.67,3.39,;8.67,4.93,;7.34,5.7,;2,5.7,;.67,4.93,;.67,.31,;2.13,.79,;3.04,-.46,;2.13,-1.7,;2.9,-3.04,;2.13,-4.37,;2.9,-5.7,;4.44,-5.7,;5.21,-4.37,;4.44,-3.04,;.67,-1.23,;-.67,-2,)| Show InChI InChI=1S/C28H34N8O/c29-21-8-12-23(13-9-21)32-28-33-26(25-27(34-28)36(19-30-25)24-4-2-1-3-5-24)31-22-10-6-20(7-11-22)18-35-14-16-37-17-15-35/h1-7,10-11,19,21,23H,8-9,12-18,29H2,(H2,31,32,33,34)/t21-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	703	n/a	n/a	n/a	n/a	7.5	24
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 BindingDB Entry DOI: 10.7270/Q2TB1573
					More data for this Ligand-Target Pair