Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50009972   

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
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50089572 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-7-1-16(12-23(20)35(42)43)14-34(13-15-2-8-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)9-10-24(36)37/h1-8,11-12,22H,9-10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Aminoimidazole carboxamide ribonucleotide transformylase				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50089585 (2,6-Diamino-5-[2-(4,5-difluoro-2-nitro-phenylamino...) Show SMILES Nc1nc(N)c(CCNc2cc(F)c(F)cc2[N+]([O-])=O)c(=O)[nH]1 Show InChI InChI=1S/C12H12F2N6O3/c13-6-3-8(9(20(22)23)4-7(6)14)17-2-1-5-10(15)18-12(16)19-11(5)21/h3-4,17H,1-2H2,(H5,15,16,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase) after 3 min at 250 uM				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50089594 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(c(F)c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-12-16(2-9-23(20)35(42)43)14-34(13-15-1-7-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)8-10-24(36)37/h1-7,9,11-12,22H,8,10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase)				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50089594 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(c(F)c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-12-16(2-9-23(20)35(42)43)14-34(13-15-1-7-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)8-10-24(36)37/h1-7,9,11-12,22H,8,10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Aminoimidazole carboxamide ribonucleotide transformylase				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50089572 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-7-1-16(12-23(20)35(42)43)14-34(13-15-2-8-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)9-10-24(36)37/h1-8,11-12,22H,9-10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase)				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair