Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'farrington' and Initial = 'm'   

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 (Rattus norvegicus (rat))	BDBM50026275 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-methyl-amino]...) Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C22H24N6O5/c1-28(14-6-7-16-15(10-14)19(23)27-22(24)26-16)11-12-2-4-13(5-3-12)20(31)25-17(21(32)33)8-9-18(29)30/h2-7,10,17H,8-9,11H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50026277 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]...) Show SMILES Nc1nc(N)c2cc(ccc2n1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O Show InChI InChI=1S/C22H22N6O6/c23-19-15-9-14(5-6-16(15)26-22(24)27-19)28(11-29)10-12-1-3-13(4-2-12)20(32)25-17(21(33)34)7-8-18(30)31/h1-6,9,11,17H,7-8,10H2,(H,25,32)(H,30,31)(H,33,34)(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50026273 (2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-b...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1 Show InChI InChI=1S/C21H22N6O5/c22-18-14-9-11(1-6-15(14)26-21(23)27-18)10-24-13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16,24H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50026276 (2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-formyl-a...) Show SMILES Nc1nc(N)c2cc(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1 Show InChI InChI=1S/C22H22N6O6/c23-19-15-9-12(1-6-16(15)26-22(24)27-19)10-28(11-29)14-4-2-13(3-5-14)20(32)25-17(21(33)34)7-8-18(30)31/h1-6,9,11,17H,7-8,10H2,(H,25,32)(H,30,31)(H,33,34)(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50026274 (2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-a...) Show SMILES CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H24N6O5/c1-28(11-12-2-7-16-15(10-12)19(23)27-22(24)26-16)14-5-3-13(4-6-14)20(31)25-17(21(32)33)8-9-18(29)30/h2-7,10,17H,8-9,11H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50026272 (2-{4-[(2,4-Diamino-quinazolin-6-ylamino)-methyl]-b...) Show SMILES Nc1nc(N)c2cc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1 Show InChI InChI=1S/C21H22N6O5/c22-18-14-9-13(5-6-15(14)26-21(23)27-18)24-10-11-1-3-12(4-2-11)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16,24H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM				J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5
					More data for this Ligand-Target Pair