Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'shabayek' and Initial = 'mi'   

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 (Bos taurus (Cattle))	BDBM50448052 (CHEMBL3115740) Show SMILES COc1ccc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2ccc(OC)c(OC)c2)cc1OC |w:6.5,c:24,t:13| Show InChI InChI=1S/C32H34N2O4/c1-19-14-25-26(15-20(19)2)34-32(23-11-13-28(36-4)30(18-23)38-6)24-9-7-8-22(31(24)33-25)16-21-10-12-27(35-3)29(17-21)37-5/h10-18,24H,7-9H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438444 (CHEMBL2414370) Show SMILES COc1ccc(c(OC)c1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1 |(37.8,-11.38,;39.13,-12.15,;40.47,-11.38,;41.8,-12.15,;43.14,-11.38,;43.13,-9.83,;41.8,-9.07,;41.79,-7.53,;40.46,-6.76,;40.47,-9.84,;44.46,-9.06,;45.92,-9.55,;46.84,-8.31,;45.94,-7.06,;44.47,-7.53,;43.23,-6.61,;46.37,-11.02,;45.45,-12.25,;46.34,-13.51,;47.81,-13.05,;49.14,-13.82,;50.48,-13.05,;50.48,-11.52,;51.81,-13.83,;53.14,-13.06,;54.47,-13.84,;55.81,-13.08,;55.81,-11.54,;54.47,-10.76,;53.14,-11.53,;47.82,-11.51,)| Show InChI InChI=1S/C20H18N6O2S3/c1-27-13-8-9-15(16(10-13)28-2)26-17(24-25-20(26)30)14-11-31-19(22-14)23-18(29)21-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,30)(H2,21,22,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448057 (CHEMBL3115735) Show SMILES COc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(OC)c(OC)c2)cc1OC |w:6.5,c:22,t:13| Show InChI InChI=1S/C30H30N2O4/c1-33-25-14-12-19(17-27(25)35-3)16-20-8-7-9-22-29(20)31-23-10-5-6-11-24(23)32-30(22)21-13-15-26(34-2)28(18-21)36-4/h5-6,10-18,22H,7-9H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448056 (CHEMBL3115736) Show SMILES COc1cc(C=C2CCCC3C2=Nc2ccccc2N=C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |w:5.4,c:21,t:12| Show InChI InChI=1S/C32H34N2O6/c1-35-25-15-19(16-26(36-2)31(25)39-5)14-20-10-9-11-22-29(20)33-23-12-7-8-13-24(23)34-30(22)21-17-27(37-3)32(40-6)28(18-21)38-4/h7-8,12-18,22H,9-11H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448053 (CHEMBL3115739) Show SMILES COc1ccc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2ccc(OC)cc2)cc1 |w:6.5,c:24,t:13| Show InChI InChI=1S/C30H30N2O2/c1-19-16-27-28(17-20(19)2)32-30-23(18-21-8-12-24(33-3)13-9-21)6-5-7-26(30)29(31-27)22-10-14-25(34-4)15-11-22/h8-18,26H,5-7H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448050 (CHEMBL3115742) Show SMILES Clc1cc2N=C3C(CCCC3=Cc3ccc(Br)cc3)C(=Nc2cc1Cl)c1ccc(Br)cc1 |w:11.12,c:4,21| Show InChI InChI=1S/C26H18Br2Cl2N2/c27-18-8-4-15(5-9-18)12-17-2-1-3-20-25(16-6-10-19(28)11-7-16)31-23-13-21(29)22(30)14-24(23)32-26(17)20/h4-14,20H,1-3H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448067 (CHEMBL3115730) Show SMILES COc1ccc(\C=C2/CCCc3c2nc(C)nc3-c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C26H28N2O4/c1-16-27-25-18(13-17-9-11-21(29-2)23(14-17)31-4)7-6-8-20(25)26(28-16)19-10-12-22(30-3)24(15-19)32-5/h9-15H,6-8H2,1-5H3/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448059 (CHEMBL3115733) Show SMILES Clc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(Cl)cc2)cc1 |w:5.4,c:21,t:12| Show InChI InChI=1S/C26H20Cl2N2/c27-20-12-8-17(9-13-20)16-19-4-3-5-22-25(18-10-14-21(28)15-11-18)29-23-6-1-2-7-24(23)30-26(19)22/h1-2,6-16,22H,3-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448066 (CHEMBL3115731) Show SMILES COc1cc(\C=C2/CCCc3c2nc(C)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C28H32N2O6/c1-16-29-25-18(11-17-12-21(31-2)27(35-6)22(13-17)32-3)9-8-10-20(25)26(30-16)19-14-23(33-4)28(36-7)24(15-19)34-5/h11-15H,8-10H2,1-7H3/b18-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448058 (CHEMBL3115734) Show SMILES COc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(OC)cc2)cc1 |w:6.5,c:22,t:13| Show InChI InChI=1S/C28H26N2O2/c1-31-22-14-10-19(11-15-22)18-21-6-5-7-24-27(20-12-16-23(32-2)17-13-20)29-25-8-3-4-9-26(25)30-28(21)24/h3-4,8-18,24H,5-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448051 (CHEMBL3115741) Show SMILES COc1cc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |w:5.4,c:23,t:12| Show InChI InChI=1S/C34H38N2O6/c1-19-12-25-26(13-20(19)2)36-32(23-17-29(39-5)34(42-8)30(18-23)40-6)24-11-9-10-22(31(24)35-25)14-21-15-27(37-3)33(41-7)28(16-21)38-4/h12-18,24H,9-11H2,1-8H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438443 (CHEMBL2414364) Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(n1)N(C(C)=O)C(C)=O Show InChI InChI=1S/C16H15N5O3S2/c1-9(22)20(10(2)23)16-17-13(8-26-16)14-18-19-15(25)21(14)11-4-6-12(24-3)7-5-11/h4-8H,1-3H3,(H,19,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438442 (CHEMBL2414365) Show SMILES COc1ccc(c(OC)c1)-n1c(n[nH]c1=S)-c1csc(n1)N(C(C)=O)C(C)=O |(3.25,-7.69,;4.59,-8.46,;5.92,-7.69,;7.26,-8.46,;8.59,-7.69,;8.59,-6.14,;7.25,-5.37,;7.25,-3.83,;5.91,-3.07,;5.92,-6.14,;9.92,-5.37,;11.38,-5.86,;12.3,-4.62,;11.4,-3.37,;9.93,-3.83,;8.69,-2.92,;11.83,-7.33,;10.91,-8.56,;11.8,-9.82,;13.27,-9.36,;13.28,-7.81,;14.51,-10.27,;14.33,-11.8,;15.57,-12.72,;12.92,-12.42,;15.92,-9.66,;17.16,-10.57,;16.09,-8.13,)| Show InChI InChI=1S/C17H17N5O4S2/c1-9(23)21(10(2)24)17-18-12(8-28-17)15-19-20-16(27)22(15)13-6-5-11(25-3)7-14(13)26-4/h5-8H,1-4H3,(H,20,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438441 (CHEMBL2414362) Show SMILES CC(=O)N(C(C)=O)c1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN5O2S2/c1-8(22)20(9(2)23)15-17-12(7-25-15)13-18-19-14(24)21(13)11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438440 (CHEMBL2414371) Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1 Show InChI InChI=1S/C19H16N6S3/c1-12-7-9-14(10-8-12)25-16(23-24-19(25)27)15-11-28-18(21-15)22-17(26)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,24,27)(H2,20,21,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448049 (CHEMBL3115743) Show SMILES Clc1ccc(C=C2CCCC3C2=Nc2cc(Cl)c(Cl)cc2N=C3c2ccc(Cl)cc2)cc1 |w:5.4,c:23,t:12| Show InChI InChI=1S/C26H18Cl4N2/c27-18-8-4-15(5-9-18)12-17-2-1-3-20-25(16-6-10-19(28)11-7-16)31-23-13-21(29)22(30)14-24(23)32-26(17)20/h4-14,20H,1-3H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448062 (CHEMBL1807580) Show SMILES COc1ccc(\C=C2/CCCc3c2nc(N)nc3-c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C25H27N3O4/c1-29-19-10-8-15(13-21(19)31-3)12-16-6-5-7-18-23(16)27-25(26)28-24(18)17-9-11-20(30-2)22(14-17)32-4/h8-14H,5-7H2,1-4H3,(H2,26,27,28)/b16-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438439 (CHEMBL2414366) Show SMILES CC(=O)N(C(C)=O)c1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H17N5O3S2/c1-13(27)25(14(2)28)21-22-18(12-31-21)19-23-24-20(30)26(19)15-8-10-17(11-9-15)29-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448065 (CHEMBL1807577) Show SMILES Nc1nc2\C(CCCc2c(n1)-c1ccc(Br)cc1)=C\c1ccc(Br)cc1 Show InChI InChI=1S/C21H17Br2N3/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(25-21(24)26-20(15)18)14-6-10-17(23)11-7-14/h4-12H,1-3H2,(H2,24,25,26)/b15-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448064 (CHEMBL1807578) Show SMILES Nc1nc2\C(CCCc2c(n1)-c1ccc(Cl)cc1)=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17Cl2N3/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(25-21(24)26-20(15)18)14-6-10-17(23)11-7-14/h4-12H,1-3H2,(H2,24,25,26)/b15-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448063 (CHEMBL1807579) Show SMILES COc1ccc(\C=C2/CCCc3c2nc(N)nc3-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H23N3O2/c1-27-18-10-6-15(7-11-18)14-17-4-3-5-20-21(25-23(24)26-22(17)20)16-8-12-19(28-2)13-9-16/h6-14H,3-5H2,1-2H3,(H2,24,25,26)/b17-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438438 (CHEMBL2414374) Show SMILES Nc1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H8ClN5S2/c12-6-1-3-7(4-2-6)17-9(15-16-11(17)18)8-5-19-10(13)14-8/h1-5H,(H2,13,14)(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438437 (CHEMBL2414376) Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(N)n1 Show InChI InChI=1S/C12H11N5OS2/c1-18-8-4-2-7(3-5-8)17-10(15-16-12(17)19)9-6-20-11(13)14-9/h2-6H,1H3,(H2,13,14)(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448061 (CHEMBL1807581) Show SMILES COc1cc(\C=C2/CCCc3c2nc(N)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C27H31N3O6/c1-31-19-11-15(12-20(32-2)25(19)35-5)10-16-8-7-9-18-23(16)29-27(28)30-24(18)17-13-21(33-3)26(36-6)22(14-17)34-4/h10-14H,7-9H2,1-6H3,(H2,28,29,30)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448055 (CHEMBL3115737) Show SMILES Cc1cc2N=C3C(CCCC3=Cc3ccc(Br)cc3)C(=Nc2cc1C)c1ccc(Br)cc1 |w:11.12,c:4,21| Show InChI InChI=1S/C28H24Br2N2/c1-17-14-25-26(15-18(17)2)32-28-21(16-19-6-10-22(29)11-7-19)4-3-5-24(28)27(31-25)20-8-12-23(30)13-9-20/h6-16,24H,3-5H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438435 (CHEMBL2414377) Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(N)n1 Show InChI InChI=1S/C12H11N5S2/c1-7-2-4-8(5-3-7)17-10(15-16-12(17)18)9-6-19-11(13)14-9/h2-6H,1H3,(H2,13,14)(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438436 (CHEMBL2414375) Show SMILES COc1ccccc1-n1c(n[nH]c1=S)-c1csc(N)n1 |(26.2,-4.75,;27.54,-5.52,;27.54,-7.06,;26.21,-7.83,;26.21,-9.37,;27.55,-10.14,;28.88,-9.37,;28.88,-7.82,;30.21,-7.05,;31.67,-7.55,;32.58,-6.31,;31.69,-5.05,;30.22,-5.52,;28.98,-4.6,;32.12,-9.01,;31.19,-10.25,;32.09,-11.5,;33.56,-11.04,;34.79,-11.96,;33.57,-9.5,)| Show InChI InChI=1S/C12H11N5OS2/c1-18-9-5-3-2-4-8(9)17-10(15-16-12(17)19)7-6-20-11(13)14-7/h2-6H,1H3,(H2,13,14)(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438434 (CHEMBL2414369) Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1 Show InChI InChI=1S/C19H16N6OS3/c1-26-14-9-7-13(8-10-14)25-16(23-24-19(25)28)15-11-29-18(21-15)22-17(27)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,24,28)(H2,20,21,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438433 (CHEMBL2414361) Show SMILES CC(=O)N(C(C)=O)c1nc(cs1)-c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C15H13N5O2S2/c1-9(21)19(10(2)22)15-16-12(8-24-15)13-17-18-14(23)20(13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,18,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438432 (CHEMBL2414372) Show SMILES S=C(Nc1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 Show InChI InChI=1S/C24H18N6OS3/c32-22(25-16-7-3-1-4-8-16)27-23-26-20(15-34-23)21-28-29-24(33)30(21)17-11-13-19(14-12-17)31-18-9-5-2-6-10-18/h1-15H,(H,29,33)(H2,25,26,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50438431 (CHEMBL2414367) Show SMILES Clc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1 Show InChI InChI=1S/C18H13ClN6S3/c19-11-6-8-13(9-7-11)25-15(23-24-18(25)27)14-10-28-17(21-14)22-16(26)20-12-4-2-1-3-5-12/h1-10H,(H,24,27)(H2,20,21,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448060 (CHEMBL3115732) Show SMILES Brc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(Br)cc2)cc1 |w:5.4,c:21,t:12| Show InChI InChI=1S/C26H20Br2N2/c27-20-12-8-17(9-13-20)16-19-4-3-5-22-25(18-10-14-21(28)15-11-18)29-23-6-1-2-7-24(23)30-26(19)22/h1-2,6-16,22H,3-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50448054 (CHEMBL3115738) Show SMILES Cc1cc2N=C3C(CCCC3=Cc3ccc(Cl)cc3)C(=Nc2cc1C)c1ccc(Cl)cc1 |w:11.12,c:4,21| Show InChI InChI=1S/C28H24Cl2N2/c1-17-14-25-26(15-18(17)2)32-28-21(16-19-6-10-22(29)11-7-19)4-3-5-24(28)27(31-25)20-8-12-23(30)13-9-20/h6-16,24H,3-5H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair