BDBM36344 CID24762174::{3-[2-trans-(4-Amino-cyclohexylamino)-9-phenyl-9H-purin-6-ylamino]-phenyl}-(4-methyl-piperazin-1-yl)-methanone, 12

SMILES: CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1

InChI Key: InChIKey=KUYLQEGGVXKEJI-HZCBDIJESA-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 = 36344   

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)	BDBM36344 (CID24762174 | {3-[2-trans-(4-Amino-cyclohexylamino...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1 |r,wU:19.19,wD:22.23,(9.34,5.7,;8,4.93,;8,3.39,;6.67,2.62,;5.33,3.39,;5.33,4.93,;6.67,5.7,;4,2.62,;4,1.08,;2.67,3.39,;2.67,4.93,;1.33,5.7,;,4.93,;,3.39,;-1.33,2.62,;-1.33,1.08,;-2.67,.31,;-2.67,-1.23,;-4,-2,;-5.33,-1.23,;-6.67,-2,;-8,-1.23,;-8,.31,;-9.34,1.08,;-6.67,1.08,;-5.33,.31,;-1.33,-2,;,-1.23,;1.46,-1.7,;2.37,-.46,;1.46,.79,;,.31,;2.23,-3.04,;1.46,-4.37,;2.23,-5.7,;3.77,-5.7,;4.54,-4.37,;3.77,-3.04,;1.33,2.62,)| Show InChI InChI=1S/C29H35N9O/c1-36-14-16-37(17-15-36)28(39)20-6-5-7-23(18-20)32-26-25-27(38(19-31-25)24-8-3-2-4-9-24)35-29(34-26)33-22-12-10-21(30)11-13-22/h2-9,18-19,21-22H,10-17,30H2,1H3,(H2,32,33,34,35)/t21-,22-	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	1.30E+3	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)	BDBM36344 (CID24762174 | {3-[2-trans-(4-Amino-cyclohexylamino...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1 |r,wU:19.19,wD:22.23,(9.34,5.7,;8,4.93,;8,3.39,;6.67,2.62,;5.33,3.39,;5.33,4.93,;6.67,5.7,;4,2.62,;4,1.08,;2.67,3.39,;2.67,4.93,;1.33,5.7,;,4.93,;,3.39,;-1.33,2.62,;-1.33,1.08,;-2.67,.31,;-2.67,-1.23,;-4,-2,;-5.33,-1.23,;-6.67,-2,;-8,-1.23,;-8,.31,;-9.34,1.08,;-6.67,1.08,;-5.33,.31,;-1.33,-2,;,-1.23,;1.46,-1.7,;2.37,-.46,;1.46,.79,;,.31,;2.23,-3.04,;1.46,-4.37,;2.23,-5.7,;3.77,-5.7,;4.54,-4.37,;3.77,-3.04,;1.33,2.62,)| Show InChI InChI=1S/C29H35N9O/c1-36-14-16-37(17-15-36)28(39)20-6-5-7-23(18-20)32-26-25-27(38(19-31-25)24-8-3-2-4-9-24)35-29(34-26)33-22-12-10-21(30)11-13-22/h2-9,18-19,21-22H,10-17,30H2,1H3,(H2,32,33,34,35)/t21-,22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.87E+3	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