Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50045639   

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
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50306576 ((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...				J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...				J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50072403 (CHEMBL3409335) Show SMILES Nc1nc2[nH]cc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)10(9-22-16)3-1-2-4-11-5-7-13(32-11)17(28)23-12(19(30)31)6-8-14(26)27/h5,7,9,12H,1-4,6,8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...				J Med Chem 58: 1479-93 (2015) Article DOI: 10.1021/jm501787c BindingDB Entry DOI: 10.7270/Q26W9CSQ
					More data for this Ligand-Target Pair