Compile Data Set for Download or QSAR

Found 15 hits of ph data with Target = 'Checkpoint Kinase (Chk2)'   

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
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34070 (NSC 377844) Show SMILES CNC(=O)Nc1ccc(cc1)C(C)=NNC(N)=S Show InChI InChI=1S/C11H15N5OS/c1-7(15-16-10(12)18)8-3-5-9(6-4-8)14-11(17)13-2/h3-6H,1-2H3,(H3,12,16,18)(H2,13,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34069 (NSC 177940) Show SMILES CC(=NN=C(N)N)c1ccc(NC(=S)Nc2ccccc2)cc1 Show InChI InChI=1S/C16H18N6S/c1-11(21-22-15(17)18)12-7-9-14(10-8-12)20-16(23)19-13-5-3-2-4-6-13/h2-10H,1H3,(H4,17,18,22)(H2,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34068 (NSC 69432 (MGBG)) Show SMILES CC(C=NN=C(N)N)=NNC(N)=N Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34067 (NSC 67931) Show SMILES CC(=NN=C(N)N)c1ccc(cc1)C(C)=NN=C(N)N Show InChI InChI=1S/C12H18N8/c1-7(17-19-11(13)14)9-3-5-10(6-4-9)8(2)18-20-12(15)16/h3-6H,1-2H3,(H4,13,14,19)(H4,15,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34063 (DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...) Show SMILES CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NN=C(N)N)cc1 Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34065 (NSC 177944) Show SMILES CC(=NN=C(N)N)c1cccc(NC(=O)Nc2cccc(c2)C(C)=NN=C(N)N)c1 Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-5-3-7-15(9-13)24-19(30)25-16-8-4-6-14(10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34066 (NSC 177941) Show SMILES CC(=NN=C(N)N)c1cccc(NC(=S)Nc2cccc(c2)C(C)=NN=C(N)N)c1 Show InChI InChI=1S/C19H24N10S/c1-11(26-28-17(20)21)13-5-3-7-15(9-13)24-19(30)25-16-8-4-6-14(10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	23
NIH					Assay Description The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM33216 (pyrazolopyridine, (R)-14) Show SMILES NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1 Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	7.4	23
The Institute of Cancer Research					Assay Description CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...				J Med Chem 52: 4810-9 (2009) Article DOI: 10.1021/jm900314j BindingDB Entry DOI: 10.7270/Q27W69KC
					More data for this Ligand-Target Pair
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM33212 (pyrazolo pyridine, 11) Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1 Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	7.4	23
The Institute of Cancer Research					Assay Description CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...				J Med Chem 52: 4810-9 (2009) Article DOI: 10.1021/jm900314j BindingDB Entry DOI: 10.7270/Q27W69KC
					More data for this Ligand-Target Pair
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM33214 (pyrazolopyridine, 13) Show SMILES NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1 Show InChI InChI=1S/C15H17N5OS/c16-5-11-8-20(2-3-21-11)14-12(10-1-4-22-9-10)6-17-15-13(14)7-18-19-15/h1,4,6-7,9,11H,2-3,5,8,16H2,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	7.4	23
The Institute of Cancer Research					Assay Description CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...				J Med Chem 52: 4810-9 (2009) Article DOI: 10.1021/jm900314j BindingDB Entry DOI: 10.7270/Q27W69KC
					More data for this Ligand-Target Pair
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM33213 (pyrazolopyridine, 12) Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12 Show InChI InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	7.4	23
The Institute of Cancer Research					Assay Description CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...				J Med Chem 52: 4810-9 (2009) Article DOI: 10.1021/jm900314j BindingDB Entry DOI: 10.7270/Q27W69KC
					More data for this Ligand-Target Pair
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34063 (DDUG | NSC 109555 | diacetyldiphenylurea bisguanyl...) Show SMILES CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NN=C(N)N)cc1 Show InChI InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	30
NIH					Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	30
NIH					Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM34064 (2-arylbenzimidazole | CHEMBL179583) Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	30
NIH					Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Checkpoint Kinase (Chk2) (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	7.5	30
NIH					Assay Description NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...				Mol Pharmacol 72: 876-84 (2007) Article DOI: 10.1124/mol.107.035832 BindingDB Entry DOI: 10.7270/Q2J67F9Q
					More data for this Ligand-Target Pair				3D Structure (docked)