Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: P00378   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Gallus gallus (Chicken))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50226274 (CHEMBL3349020) Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405399 (CHEMBL2051989) Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50004544 (2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405399 (CHEMBL2051989) Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405401 (CHEMBL2051990) Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50025007 (2-{4-[2-(2,4-Diamino-7,8-dihydro-pteridin-6-yl)-et...) Show SMILES CCC(CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:4| Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50025008 (2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6...) Show SMILES CCC(CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405398 (CHEMBL2051991) Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r,t:4| Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405398 (CHEMBL2051991) Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r,t:4| Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50079267 (Congo Red | Direct red 28 | Kongorot | Sodium diph...) Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50111607 (3,4-Dichloro-N-[5-(5-chloro-benzothiazol-2-ylsulfa...) Show SMILES Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1 Show InChI InChI=1S/C16H7Cl3N4OS3/c17-8-2-4-12-11(6-8)20-15(25-12)27-16-23-22-14(26-16)21-13(24)7-1-3-9(18)10(19)5-7/h1-6H,(H,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50111589 (2-[(3,5-diiodo-4-oxidophenyl)(3,5-diiodo-4-oxocycl...) Show SMILES [#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12| Show InChI InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,25H,(H,27,28)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50369776 (CHEMBL298301) Show SMILES [O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O |t:19,TLB:9:11:23:19.17,20:19:23:11.12,THB:13:12:23:19.17,18:17:23:11.12| Show InChI InChI=1S/C15H6Cl6N4O6/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(26)23(12(8)27)22-5-2-1-4(24(28)29)3-6(5)25(30)31/h1-3,7-8,22H/t7?,8?,13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50065297 (3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...) Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50111585 (4-(4-Bromo-phenylazo)-phenol | 4-bromophenylazophe...) Show SMILES Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9| Show InChI InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50111592 (6,6'-Dichloro-4,4'-dimethyl-[2,2']bi[benzo[b]thiop...) Show SMILES Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O Show InChI InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6,21-22H,1-2H2/b18-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50111596 (CHEMBL46666 | N'1,N'2-bis(2-hydroxybenzylidene)oxa...) Show SMILES Oc1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1O Show InChI InChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50111591 (4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benz...) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1 Show InChI InChI=1S/C15H10F2N2O2S/c16-9-2-3-11(10(17)6-9)18-15-19-12(7-22-15)8-1-4-13(20)14(21)5-8/h1-7,20-21H,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair