Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50041172   

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
Dihydrofolate reductase (Escherichia coli)	BDBM50406007 (CHEMBL418293) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12 |t:18| Show InChI InChI=1S/C18H21F2N5O/c1-9-12-5-10(4-11-7-23-17(22)24-16(11)21)6-13(26-3)14(12)25-18(2,8-19)15(9)20/h5-7,25H,4,8H2,1-3H3,(H4,21,22,23,24)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity of compound in Escherichia coli DHFR				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50406005 (CHEMBL60827) Show SMILES CC1=CC(C)(C)Nc2c1cc(Cc1cnc(N)nc1N)c1cccnc21 |t:1| Show InChI InChI=1S/C20H22N6/c1-11-9-20(2,3)26-17-15(11)8-12(14-5-4-6-23-16(14)17)7-13-10-24-19(22)25-18(13)21/h4-6,8-10,26H,7H2,1-3H3,(H4,21,22,24,25)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity of compound in Escherichia coli DHFR				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50406006 (CHEMBL418492) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity against Dihydrofolate reductase in Escherichia coli				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50406011 (CHEMBL300545) Show SMILES CSc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5S/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity of compound in Escherichia coli DHFR				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity against Dihydrofolate reductase in Escherichia coli				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair