Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'dumont' and Initial = 'ja'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (Mus musculus)	BDBM50015358 (CHEMBL417844 | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE...) Show SMILES C=C=CCNCCCCNCC=C=C Show InChI InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver				J Med Chem 33: 1369-75 (1990) BindingDB Entry DOI: 10.7270/Q2RN38F8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (Mus musculus)	BDBM50368113 (CHEMBL1202500) Show SMILES C=C=CCNCCCNCCCCCCCCNCCCNCC=C=C Show InChI InChI=1S/C22H42N4/c1-3-5-15-23-19-13-21-25-17-11-9-7-8-10-12-18-26-22-14-20-24-16-6-4-2/h5-6,23-26H,1-2,7-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver				J Med Chem 33: 1369-75 (1990) BindingDB Entry DOI: 10.7270/Q2RN38F8
					More data for this Ligand-Target Pair
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (Mus musculus)	BDBM50015357 (Buta-2,3-dienyl-[3-(3-buta-2,3-dienylamino-propyla...) Show SMILES C=C=CCNCCCNCCCNCC=C=C Show InChI InChI=1S/C14H25N3/c1-3-5-9-15-11-7-13-17-14-8-12-16-10-6-4-2/h5-6,15-17H,1-2,7-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver				J Med Chem 33: 1369-75 (1990) BindingDB Entry DOI: 10.7270/Q2RN38F8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (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 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 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)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,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.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/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	48	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				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11458 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)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,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.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/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	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/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)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,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.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/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	52	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/G2/mitotic-specific cyclin- 1 (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/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11458 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)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,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.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/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-	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	226	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 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM11461 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)| Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	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 4/G1/S-specific cyclin-D1 (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 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
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM11461 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)| Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1	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	2.00E+3	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/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11458 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)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,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.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/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	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 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)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,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.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/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	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 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM11461 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)| Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	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