Compile Data Set for Download or QSAR

Found 339 hits with Last Name = 'reis' and Initial = 'h'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50354578 (BUPRENORPHINE | US10752592, Compound buprenorphine...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	US Patent	0.0400	-59.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222959 (US9315514, 3) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222960 (US9315514, 4) Show SMILES CCC1O[C@@](C)([C@H]2C[C@]34CC[C@]2(O1)[C@@H]1Oc2c5c(C[C@H]3N(CC3CC3)CC[C@@]415)ccc2O)C(C)(C)C |r,TLB:4:6:27.13:9.10| Show InChI InChI=1S/C31H43NO4/c1-6-23-35-28(5,27(2,3)4)21-16-29-11-12-31(21,36-23)26-30(29)13-14-32(17-18-7-8-18)22(29)15-19-9-10-20(33)25(34-26)24(19)30/h9-10,18,21-23,26,33H,6-8,11-17H2,1-5H3/t21-,22-,23?,26-,28+,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	-55.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50354578 (BUPRENORPHINE | US10752592, Compound buprenorphine...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	US Patent	0.300	-58.9	n/a	n/a	n/a	n/a	n/a	7.4	50
Rhodes Technologies US Patent					Assay Description Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membr...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50063885 ((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 16: 7377-87 (2008) Article DOI: 10.1016/j.bmc.2008.06.019 BindingDB Entry DOI: 10.7270/Q2TX3F6K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222960 (US9315514, 4) Show SMILES CCC1O[C@@](C)([C@H]2C[C@]34CC[C@]2(O1)[C@@H]1Oc2c5c(C[C@H]3N(CC3CC3)CC[C@@]415)ccc2O)C(C)(C)C |r,TLB:4:6:27.13:9.10| Show InChI InChI=1S/C31H43NO4/c1-6-23-35-28(5,27(2,3)4)21-16-29-11-12-31(21,36-23)26-30(29)13-14-32(17-18-7-8-18)22(29)15-19-9-10-20(33)25(34-26)24(19)30/h9-10,18,21-23,26,33H,6-8,11-17H2,1-5H3/t21-,22-,23?,26-,28+,29-,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.350	-58.5	n/a	n/a	n/a	n/a	n/a	7.4	50
Rhodes Technologies US Patent					Assay Description Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membr...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222963 (US9315514, 11) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23C=C[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,c:10,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H37NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-10,17,20-21,24,31H,5-6,11-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.440	-53.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222959 (US9315514, 3) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.450	-57.8	n/a	n/a	n/a	n/a	n/a	7.4	50
Rhodes Technologies US Patent					Assay Description Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membr...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50063885 ((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 16: 7377-87 (2008) Article DOI: 10.1016/j.bmc.2008.06.019 BindingDB Entry DOI: 10.7270/Q2TX3F6K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222961 (US9315514, 5) Show SMILES CCCC1O[C@@](C)([C@H]2C[C@]34CC[C@]2(O1)[C@@H]1Oc2c5c(C[C@H]3N(CC3CC3)CC[C@@]415)ccc2O)C(C)(C)C |r,TLB:5:7:28.14:10.11| Show InChI InChI=1S/C32H45NO4/c1-6-7-24-36-29(5,28(2,3)4)22-17-30-12-13-32(22,37-24)27-31(30)14-15-33(18-19-8-9-19)23(30)16-20-10-11-21(34)26(35-27)25(20)31/h10-11,19,22-24,27,34H,6-9,12-18H2,1-5H3/t22-,23-,24?,27-,29+,30-,31+,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	-57.3	n/a	n/a	n/a	n/a	n/a	7.4	50
Rhodes Technologies US Patent					Assay Description Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membr...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222961 (US9315514, 5) Show SMILES CCCC1O[C@@](C)([C@H]2C[C@]34CC[C@]2(O1)[C@@H]1Oc2c5c(C[C@H]3N(CC3CC3)CC[C@@]415)ccc2O)C(C)(C)C |r,TLB:5:7:28.14:10.11| Show InChI InChI=1S/C32H45NO4/c1-6-7-24-36-29(5,28(2,3)4)22-17-30-12-13-32(22,37-24)27-31(30)14-15-33(18-19-8-9-19)23(30)16-20-10-11-21(34)26(35-27)25(20)31/h10-11,19,22-24,27,34H,6-9,12-18H2,1-5H3/t22-,23-,24?,27-,29+,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018235 (5-Amino-2-{4-[(2,4-diamino-5-chloro-quinazolin-6-y...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H24ClN7O3/c22-17-12(5-8-14-16(17)18(24)29-21(25)28-14)10-26-13-6-3-11(4-7-13)19(30)27-15(20(31)32)2-1-9-23/h3-8,15,26H,1-2,9-10,23H2,(H,27,30)(H,31,32)(H4,24,25,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222962 (US9315514, 6) Show SMILES CC(C)(C)[C@@]1(C)OC(O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25)c1ccccc1 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C35H43NO4/c1-31(2,3)32(4)25-19-33-14-15-35(25,40-29(39-32)22-8-6-5-7-9-22)30-34(33)16-17-36(20-21-10-11-21)26(33)18-23-12-13-24(37)28(38-30)27(23)34/h5-9,12-13,21,25-26,29-30,37H,10-11,14-20H2,1-4H3/t25-,26-,29?,30-,32+,33-,34+,35-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.26	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	50
Rhodes Technologies US Patent					Assay Description Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membr...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222962 (US9315514, 6) Show SMILES CC(C)(C)[C@@]1(C)OC(O[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25)c1ccccc1 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C35H43NO4/c1-31(2,3)32(4)25-19-33-14-15-35(25,40-29(39-32)22-8-6-5-7-9-22)30-34(33)16-17-36(20-21-10-11-21)26(33)18-23-12-13-24(37)28(38-30)27(23)34/h5-9,12-13,21,25-26,29-30,37H,10-11,14-20H2,1-4H3/t25-,26-,29?,30-,32+,33-,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.61	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222965 (US9315514, 8) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]12CC[C@@]35C[C@@H]1[C@](C)(OCO2)C(C)(C)C |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C30H41NO4/c1-26(2,3)27(4)21-15-28-10-11-30(21,34-17-33-27)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32-5)24(35-25)23(19)29/h8-9,18,21-22,25H,6-7,10-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.22	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50002472 (5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Mus musculus)	BDBM50002471 (5-Amino-2-{4-[(2-amino-4-oxo-2,3,4,4a,5,6,7,8-octa...) Show SMILES NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O Show InChI InChI=1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of mouse liver Folyl-polyglutamate synthase				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222964 (US9315514, 12) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]12OCO[C@@](C)([C@H]1C[C@]35C=C2)C(C)(C)C |r,wU:15.22,26.31,16.17,20.24,24.28,wD:28.32,7.7,24.38,c:36,THB:24:26:15.16:29.30,(-5.66,6.41,;-4.41,5.57,;-4.51,4.07,;-5.84,3.3,;-5.78,1.78,;-4.58,.83,;-4.24,-.67,;-2.82,-1.39,;-3.66,-2.77,;-4.98,-3.5,;-5,-5.01,;-4.27,-6.32,;-5.78,-6.3,;-2.13,-2.79,;-1.89,-1.21,;-1.87,.53,;-.88,2.03,;-1.72,3.37,;-3.26,3.12,;-3.19,1.53,;.82,2.54,;1.44,3.95,;2.97,3.84,;3.61,2.41,;3.17,.89,;2.96,-.6,;1.59,1,;.76,-.5,;-1,-.87,;-.25,.18,;.23,1.41,;4.64,.58,;6.11,.26,;4.95,2.05,;4.32,-.89,)| Show InChI InChI=1S/C30H39NO4/c1-26(2,3)27(4)21-15-28-10-11-30(21,34-17-33-27)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32-5)24(35-25)23(19)29/h8-11,18,21-22,25H,6-7,12-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.1	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mus musculus)	BDBM50005868 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)NC(CCP(O)(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C19H25N6O7P/c20-19-24-15-13(17(27)25-19)7-10(9-22-15)8-21-12-3-1-11(2-4-12)16(26)23-14(18(28)29)5-6-33(30,31)32/h1-4,10,14,21H,5-9H2,(H,23,26)(H,28,29)(H2,30,31,32)(H4,20,22,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of Glycinamide ribonucleotide formyltransferase from L1210 murine leukemia cells				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405088 (CHEMBL31004) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CSc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-10-8-13(9-11-14)12-24-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405074 (CHEMBL34627) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)C(N)=O)cc1 |t:3,6| Show InChI InChI=1S/C19H22N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-7-9-15(10-8-14)27-11-12-3-5-13(6-4-12)16(20)26/h3-10H,11H2,1-2H3,(H2,20,26)(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405052 (CHEMBL283916) Show SMILES Cc1cccc(SCc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20| Show InChI InChI=1S/C19H23N5S/c1-13-5-4-6-16(11-13)25-12-14-7-9-15(10-8-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405070 (CHEMBL30681) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)S(N)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C18H22N6O3S/c1-18(2)23-16(19)22-17(20)24(18)13-5-7-14(8-6-13)27-11-12-3-9-15(10-4-12)28(21,25)26/h3-10H,11H2,1-2H3,(H2,21,25,26)(H4,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mus musculus)	BDBM50024475 (2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-quinazo...) Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C21H25N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h2-5,11,16,23H,1,6-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of mouse GAR transformylase				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405102 (CHEMBL30475) Show SMILES Cc1ccccc1SCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:19,22| Show InChI InChI=1S/C19H23N5S/c1-13-6-4-5-7-16(13)25-12-14-8-10-15(11-9-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405072 (CHEMBL33010) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(CO)cc2)cc1 |t:3,6| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-9-16(10-8-15)26-12-14-5-3-13(11-25)4-6-14/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405055 (CHEMBL283173) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405049 (CHEMBL285019) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccc(Cl)cc2)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5S/c1-18(2)23-16(20)22-17(21)24(18)14-7-9-15(10-8-14)25-11-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405043 (1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50016343 (2-{4-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-m...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C32H43N11O8/c1-43(18-20-17-38-29-27(39-20)28(33)41-32(34)42-29)21-10-8-19(9-11-21)30(49)37-16-3-6-24(45)35-14-2-5-23(44)36-15-4-7-25(46)40-22(31(50)51)12-13-26(47)48/h8-11,17,22H,2-7,12-16,18H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,40,46)(H,47,48)(H,50,51)(H4,33,34,38,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei				J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Mus musculus)	BDBM50011885 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-am...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O Show InChI InChI=1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver				J Med Chem 29: 655-60 (1986) BindingDB Entry DOI: 10.7270/Q2RR1ZTR
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50016340 (2-[4-(4-{4-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmet...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C40H57N13O10/c1-53(24-26-23-48-37-35(49-26)36(41)51-40(42)52-37)27-14-12-25(13-15-27)38(61)47-22-5-10-32(57)45-20-3-8-30(55)43-18-2-7-29(54)44-19-4-9-31(56)46-21-6-11-33(58)50-28(39(62)63)16-17-34(59)60/h12-15,23,28H,2-11,16-22,24H2,1H3,(H,43,55)(H,44,54)(H,45,57)(H,46,56)(H,47,61)(H,50,58)(H,59,60)(H,62,63)(H4,41,42,48,51,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei				J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50016339 (2-(4-{4-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmethyl...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C36H50N12O9/c1-48(21-23-20-43-33-31(44-23)32(37)46-36(38)47-33)24-12-10-22(11-13-24)34(55)42-19-4-8-28(51)40-17-2-6-26(49)39-16-3-7-27(50)41-18-5-9-29(52)45-25(35(56)57)14-15-30(53)54/h10-13,20,25H,2-9,14-19,21H2,1H3,(H,39,49)(H,40,51)(H,41,50)(H,42,55)(H,45,52)(H,53,54)(H,56,57)(H4,37,38,43,46,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei				J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Mus musculus)	BDBM50005865 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...) Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O7S/c20-19-24-15-13(17(27)25-19)7-10(9-22-15)8-21-12-3-1-11(2-4-12)16(26)23-14(18(28)29)5-6-33(30,31)32/h1-4,10,14,21H,5-9H2,(H,23,26)(H,28,29)(H,30,31,32)(H4,20,22,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of Glycinamide ribonucleotide formyltransferase from L1210 murine leukemia cells				J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50016342 (2-[4-(4-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-meth...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C28H36N10O7/c1-38(15-17-14-33-25-23(34-17)24(29)36-28(30)37-25)18-8-6-16(7-9-18)26(43)32-13-2-4-20(39)31-12-3-5-21(40)35-19(27(44)45)10-11-22(41)42/h6-9,14,19H,2-5,10-13,15H2,1H3,(H,31,39)(H,32,43)(H,35,40)(H,41,42)(H,44,45)(H4,29,30,33,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei				J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50020107 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-am...) Show SMILES NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O Show InChI InChI=1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human				J Med Chem 31: 1338-44 (1988) BindingDB Entry DOI: 10.7270/Q22J6CFD
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Mus musculus)	BDBM50020107 (5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-am...) Show SMILES NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O Show InChI InChI=1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse				J Med Chem 31: 1338-44 (1988) BindingDB Entry DOI: 10.7270/Q22J6CFD
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405073 (CHEMBL33014) Show SMILES CCCCCCCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:18,21| Show InChI InChI=1S/C20H33N5/c1-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)25-19(22)23-18(21)24-20(25,2)3/h12-15H,4-11H2,1-3H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50016341 (2-(4-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C24H29N9O6/c1-33(12-14-11-28-21-19(29-14)20(25)31-24(26)32-21)15-6-4-13(5-7-15)22(37)27-10-2-3-17(34)30-16(23(38)39)8-9-18(35)36/h4-7,11,16H,2-3,8-10,12H2,1H3,(H,27,37)(H,30,34)(H,35,36)(H,38,39)(H4,25,26,28,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei				J Med Chem 29: 1872-6 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K4Q
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405054 (CHEMBL7035) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)12-4-6-13(7-5-12)26-10-11-3-8-14(19)15(20)9-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018236 (5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...) Show SMILES NCCCC(NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H22N4O4S/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405046 (CHEMBL6962) Show SMILES CCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-4-5-6-11-7-9-12(10-8-11)20-14(17)18-13(16)19-15(20,2)3/h7-10H,4-6H2,1-3H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090050 (1-(4-Fluoro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(F)cc1 |t:3,6| Show InChI InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222966 (US9315514, 7) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(OCc5ccccc5)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:32.31:11.10| Show InChI InChI=1S/C36H45NO4/c1-32(2,3)33(4)27-19-34-14-15-36(27,40-22-39-33)31-35(34)16-17-37(20-23-10-11-23)28(34)18-25-12-13-26(30(41-31)29(25)35)38-21-24-8-6-5-7-9-24/h5-9,12-13,23,27-28,31H,10-11,14-22H2,1-4H3/t27-,28-,31-,33+,34-,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	757	-34.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405051 (CHEMBL33389) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOc2ccc(N)cc2)cc1 |t:3,6| Show InChI InChI=1S/C19H24N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-5-9-16(10-6-14)27-12-11-26-15-7-3-13(20)4-8-15/h3-10H,11-12,20H2,1-2H3,(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50018232 (5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...) Show SMILES NCCCC(NC(=O)c1ccc(OCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H22N4O5/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405100 (CHEMBL32304) Show SMILES CCCCCCCCCCCCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:22,25| Show InChI InChI=1S/C23H39N5O/c1-4-5-6-7-8-9-10-11-12-13-18-29-20-16-14-19(15-17-20)28-22(25)26-21(24)27-23(28,2)3/h14-17H,4-13,18H2,1-3H3,(H4,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090067 (6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccccc1 |t:3,6| Show InChI InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair

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