Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cell cycle checkpoint protein RAD1'   

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
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM50044628 (CHEBI:4286 | CHEMBL1162148) Show SMILES OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S Show InChI InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Binding affinity to RAD1 (unknown origin) by surface plasmon resonance method				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM48804 (3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...) Show SMILES O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12 Show InChI InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Binding affinity to RAD1 (unknown origin) by surface plasmon resonance method				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM50044628 (CHEBI:4286 | CHEMBL1162148) Show SMILES OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S Show InChI InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Inhibition of RAD1 (unknown origin) binding to ssDNA				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM39120 (3-chloranyl-1-(3,4-dichlorophenyl)-4-morpholin-4-y...) Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1| Show InChI InChI=1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Inhibition of RAD1 (unknown origin) binding to ssDNA				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM48804 (3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...) Show SMILES O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12 Show InChI InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Inhibition of RAD1 (unknown origin) binding to ssDNA				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM50424495 (CHEMBL2316726) Show SMILES COc1ccc(cc1)C1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9| Show InChI InChI=1S/C21H18Cl2N2O4/c1-28-15-5-2-13(3-6-15)18-19(24-8-10-29-11-9-24)21(27)25(20(18)26)14-4-7-16(22)17(23)12-14/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Inhibition of RAD1 (unknown origin) binding to ssDNA				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair