BDBM11459 2,6,9-trisubstituted adenine derivative::2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)-9H-purine-2,6-diamine::H622

SMILES: N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1

InChI Key: InChIKey=FGLRSCIZYHXTBC-SHTZXODSSA-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 = 11459   

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
CDK2/CycE (Homo sapiens (Human))	BDBM11459 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM11459 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	8.0	30
Lawrence Berkeley National Laboratory					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM11459 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	7.5	30
Lawrence Berkeley National Laboratory					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Se...				J Med Chem 44: 524-30 (2001) Article DOI: 10.1021/jm001043t BindingDB Entry DOI: 10.7270/Q2Q23XGD
					More data for this Ligand-Target Pair