Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'AICAR transformylase'   

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
AICAR transformylase (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Triglutamyl homologue inhibition activity against AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50014707 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoy...) Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration of the compound inhibiting AICAR formyltransferase enzyme of L. casei				J Med Chem 33: 212-5 (1990) Article DOI: 10.1021/jm00163a035 BindingDB Entry DOI: 10.7270/Q2FX78FR
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50014706 (2-{4-[2-(2,4-Diamino-pteridin-6-yl)-butyl]-benzoyl...) Show SMILES CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1/C22H25N7O5/c1-2-12(15-10-25-19-17(26-15)18(23)28-22(24)29-19)9-11-3-5-13(6-4-11)20(32)27-14(21(33)34)7-8-16(30)31/h3-6,10,12,14H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration of the compound inhibiting AICAR formyltransferase enzyme of L. casei				J Med Chem 33: 212-5 (1990) Article DOI: 10.1021/jm00163a035 BindingDB Entry DOI: 10.7270/Q2FX78FR
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50014844 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase from hog liver				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) Article DOI: 10.1021/jm00164a014 BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair