Compile Data Set for Download or QSAR

Found 336 hits with Last Name = 'el-subbagh' and Initial = 'hi'   

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
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50363963 (CHEMBL1949725) Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50363963 (CHEMBL1949725) Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50363966 (CHEMBL1949728) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50363966 (CHEMBL1949728) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50363963 (CHEMBL1949725) Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50363967 (CHEMBL1949729) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50363967 (CHEMBL1949729) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50363966 (CHEMBL1949728) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50363963 (CHEMBL1949725) Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50363964 (CHEMBL1949726) Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50363964 (CHEMBL1949726) Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50363965 (CHEMBL1949727) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	657	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50363966 (CHEMBL1949728) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	681	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50363967 (CHEMBL1949729) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50363967 (CHEMBL1949729) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r| Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50363965 (CHEMBL1949727) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50363964 (CHEMBL1949726) Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50363965 (CHEMBL1949727) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50363964 (CHEMBL1949726) Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r| Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50363965 (CHEMBL1949727) Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin Luther Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells				J Med Chem 54: 7422-6 (2011) Article DOI: 10.1021/jm200676f BindingDB Entry DOI: 10.7270/Q27M08DP
					More data for this Ligand-Target Pair
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))	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					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	8	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				Bioorg Med Chem Lett 24: 4557-67 (2014) Article DOI: 10.1016/j.bmcl.2014.07.070 BindingDB Entry DOI: 10.7270/Q2CZ38TW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM226165 (N'-[4-Methoxybenzylidene-2-(6-chloro)-3-(4-met...) Show SMILES COc1ccc(\C=N\NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C25H21ClN4O4S/c1-33-19-8-3-16(4-9-19)14-27-29-23(31)15-35-25-28-22-12-5-17(26)13-21(22)24(32)30(25)18-6-10-20(34-2)11-7-18/h3-14H,15H2,1-2H3,(H,29,31)/b27-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
Future University					Assay Description The assay mixture contained 50 μM Tris-HCl buffer (pH 7.4), 50 μM NADPH, 10 μl DMSO or the same volume of DMSO solution containing the...				Bioorg Chem 72: 282-292 (2017) BindingDB Entry DOI: 10.7270/Q2TX3D82
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50196309 (CHEMBL3929338) Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc1 Show InChI InChI=1S/C24H22N2O2S/c1-17-8-13-22-21(14-17)23(27)26(15-18-6-4-3-5-7-18)24(25-22)29-16-19-9-11-20(28-2)12-10-19/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50603507 (CHEMBL5169560) Show SMILES C(CN1CCOCC1)Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50196287 (CHEMBL3936506) Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)cc1 Show InChI InChI=1S/C22H17ClN2O2S/c1-27-18-10-7-15(8-11-18)14-28-22-24-20-12-9-16(23)13-19(20)21(26)25(22)17-5-3-2-4-6-17/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50603482 (CHEMBL5199487) Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2ncccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114661 BindingDB Entry DOI: 10.7270/Q2SF314K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50603488 (CHEMBL5205489) Show SMILES Nc1nn(-c2c3CCCCc3nc3ccc(cc23)[N+]([O-])=O)c2ncccc12 |(-.36,4.1,;.56,2.87,;.05,1.39,;1.33,.51,;1.33,-1.03,;2.67,-1.8,;4,-1.03,;5.34,-1.8,;5.34,-3.33,;4,-4.1,;2.67,-3.33,;1.33,-4.1,;,-3.33,;-1.33,-4.1,;-2.67,-3.33,;-2.67,-1.8,;-1.33,-1.03,;,-1.8,;-4,-1.03,;-5.34,-1.8,;-4,.51,;2.57,1.39,;4.05,1.08,;5.08,2.21,;4.62,3.69,;3.13,4,;2.1,2.87,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					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 (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114661 BindingDB Entry DOI: 10.7270/Q2SF314K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50603485 (CHEMBL5172647) Show SMILES COc1cc2nc3CCCCc3c(N3CCOCC3)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114661 BindingDB Entry DOI: 10.7270/Q2SF314K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50590837 (CHEMBL5173449) Show SMILES COc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114661 BindingDB Entry DOI: 10.7270/Q2SF314K
					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
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))	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 DHFR after 2 mins				Bioorg Med Chem 18: 2849-63 (2010) Article DOI: 10.1016/j.bmc.2010.03.019 BindingDB Entry DOI: 10.7270/Q2M61M6S
					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	n/a	n/a	80	n/a	n/a	n/a	n/a	7.4	25
Future University					Assay Description The assay mixture contained 50 μM Tris-HCl buffer (pH 7.4), 50 μM NADPH, 10 μl DMSO or the same volume of DMSO solution containing the...				Bioorg Chem 72: 282-292 (2017) BindingDB Entry DOI: 10.7270/Q2TX3D82
					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
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 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB 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 human DHFR after 2 mins				Bioorg Med Chem 18: 2849-63 (2010) Article DOI: 10.1016/j.bmc.2010.03.019 BindingDB Entry DOI: 10.7270/Q2M61M6S
					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 DHFR after 2 mins by spectrophotometry				Eur J Med Chem 63: 33-45 (2013) Article DOI: 10.1016/j.ejmech.2012.12.061 BindingDB Entry DOI: 10.7270/Q26W9CGP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50603507 (CHEMBL5169560) Show SMILES C(CN1CCOCC1)Nc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114152 BindingDB Entry DOI: 10.7270/Q2445RKV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50196313 (CHEMBL3914501) Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClN2O2S/c1-15-3-12-21-20(13-15)22(27)26(18-8-6-17(24)7-9-18)23(25-21)29-14-16-4-10-19(28-2)11-5-16/h3-13H,14H2,1-2H3	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
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bos taurus (Cattle))	BDBM50196288 (CHEMBL3959539) Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H19ClN2O3S/c1-28-18-8-3-15(4-9-18)14-30-23-25-21-12-5-16(24)13-20(21)22(27)26(23)17-6-10-19(29-2)11-7-17/h3-13H,14H2,1-2H3	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
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					More data for this Ligand-Target Pair

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