Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'khan' and Initial = 'fa'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	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 PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50398388 (CHEMBL2178604) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H22N8O3/c21-16-15-17(27-20(22)26-16)24-10-14(25-15)9-23-13-3-1-11(2-4-13)18(29)28-7-5-12(6-8-28)19(30)31/h1-4,10,12,23H,5-9H2,(H,30,31)(H4,21,22,24,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50398388 (CHEMBL2178604) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H22N8O3/c21-16-15-17(27-20(22)26-16)24-10-14(25-15)9-23-13-3-1-11(2-4-13)18(29)28-7-5-12(6-8-28)19(30)31/h1-4,10,12,23H,5-9H2,(H,30,31)(H4,21,22,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562452 (CHEMBL4776197) Show SMILES Nc1cc(cc2nc(c(Nc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)nc12)-c1ccccc1)C(F)(F)F Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562453 (CHEMBL4783402) Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc(cc1)C(=O)N1CCC(CC1C(=O)OC)C(=O)OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562451 (CHEMBL4763597) Show SMILES OC(=O)C1CCN(CC1)C(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562452 (CHEMBL4776197) Show SMILES Nc1cc(cc2nc(c(Nc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)nc12)-c1ccccc1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562451 (CHEMBL4763597) Show SMILES OC(=O)C1CCN(CC1)C(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562453 (CHEMBL4783402) Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc(cc1)C(=O)N1CCC(CC1C(=O)OC)C(=O)OC Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DHFR				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					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 Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562445 (CHEMBL4748139) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O 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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562454 (CHEMBL533684 | TCMDC-141974) Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)ccc2n1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562450 (CHEMBL4757974) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(Cc1cc2ccccc2[nH]1)C(O)=O 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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562443 (CHEMBL4759800) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(C(C)C)C(O)=O 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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562444 (CHEMBL4783671) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(O)=O 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	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562449 (CHEMBL4745475) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CCC(O)=O)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562446 (CHEMBL4752301) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CC(C)C)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562448 (CHEMBL4779765) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1ccccc1)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562447 (CHEMBL4761589) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1cc2ccccc2[nH]1)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562442 (CHEMBL4748158) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562445 (CHEMBL4748139) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562441 (CHEMBL4791810) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562455 (CHEMBL2005041) Show SMILES Nc1nc(N)c(CCCCc2ccccc2)c(\C=C\c2ccc(cc2)[N+]([O-])=O)n1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562438 (CHEMBL4743204) Show SMILES CC1=C(C(NC(=O)N1)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562444 (CHEMBL4783671) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562442 (CHEMBL4748158) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| 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	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562443 (CHEMBL4759800) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(C(C)C)C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562441 (CHEMBL4791810) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| 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	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562438 (CHEMBL4743204) Show SMILES CC1=C(C(NC(=O)N1)c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| 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	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	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 PDB Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562440 (CHEMBL4754677) Show SMILES COc1ccc(cc1)C1NC(=O)NC(C)=C1C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |c:15| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562449 (CHEMBL4745475) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CCC(O)=O)C(O)=O 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	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562447 (CHEMBL4761589) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(Cc1cc2ccccc2[nH]1)C(O)=O 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	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50562439 (CHEMBL4750040) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50179406 (CHEMBL3814850) Show SMILES CCCc1nc2ccc(Cl)cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H21ClN6/c1-2-5-23-26-21-13-12-18(25)14-22(21)31(23)15-16-8-10-17(11-9-16)19-6-3-4-7-20(19)24-27-29-30-28-24/h3-4,6-14H,2,5,15H2,1H3,(H,27,28,29,30)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Y.B. Chavan College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of Escherichia coli peptide deformylase				Bioorg Med Chem 24: 3456-63 (2016) Article DOI: 10.1016/j.bmc.2016.05.051 BindingDB Entry DOI: 10.7270/Q2J67JV4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242322 (CHEMBL4066113) Show SMILES [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2 |r,TLB:20:19:12.11.8:5.2,8:7:1.2:27.29.20,5:7:1:15.16.14,THB:16:19:12.11.8:5.2,31:29:19.7.5:22.23.25.26,32:31:20.22:27.25.26,30:29:19.7.5:22.23.25.26,9:8:1:15.16.14| Show InChI InChI=1S/C24H37NO6/c1-6-25-12-20(2)9-8-15(29-4)23-14-11-13-7-10-22(27,24(14,28)19(26)31-13)21(3,18(23)25)17(30-5)16(20)23/h13-18,27-28H,6-12H2,1-5H3/t13-,14-,15-,16+,17-,18?,20-,21+,22-,23-,24?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242315 (CHEMBL4093688) Show SMILES [H][C@@]12CC34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC[C@H](O)[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,5:7:22.13:3,6:5:23.25:11.9,9:11:23:27.2.1,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:20:22:16.15:1,20:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,14:13:23:27.2.1,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H27NO3/c1-8-5-19-6-9-15-18(2)4-3-10(22)20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(9)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12-,13-,14+,15+,16-,17?,18-,19?,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242323 (CHEMBL4070917) Show SMILES [H][C@]12[C@@H](O)[C@@]3([H])[C@]4(C1N(CC)C[C@]3(C)CC[C@@H]4OC)[C@]1([H])C[C@@]3([H])CC[C@@]2(O)[C@@]1([H])C(=O)O3 |r,TLB:8:7:4.2:26.28.19,1:7:4:15.16.14,19:6:12.11.8:1.2,THB:16:6:12.11.8:1.2,30:28:6.7.1:21.22.24.25,31:30:19.21:26.24.25,9:8:4:15.16.14| Show InChI InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20-,21+,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242317 (CHEMBL4085938) Show SMILES [H][C@]12CC[C@@]3(CC[C@]4([H])[C@]5(C)CCC[C@]4(CN4CCOC54)[C@]3([H])C1)[C@]([H])(O)C2=C |r| Show InChI InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19?,20-,21-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242322 (CHEMBL4066113) Show SMILES [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2 |r,TLB:20:19:12.11.8:5.2,8:7:1.2:27.29.20,5:7:1:15.16.14,THB:16:19:12.11.8:5.2,31:29:19.7.5:22.23.25.26,32:31:20.22:27.25.26,30:29:19.7.5:22.23.25.26,9:8:1:15.16.14| Show InChI InChI=1S/C24H37NO6/c1-6-25-12-20(2)9-8-15(29-4)23-14-11-13-7-10-22(27,24(14,28)19(26)31-13)21(3,18(23)25)17(30-5)16(20)23/h13-18,27-28H,6-12H2,1-5H3/t13-,14-,15-,16+,17-,18?,20-,21+,22-,23-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242315 (CHEMBL4093688) Show SMILES [H][C@@]12CC34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC[C@H](O)[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,5:7:22.13:3,6:5:23.25:11.9,9:11:23:27.2.1,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:20:22:16.15:1,20:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,14:13:23:27.2.1,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H27NO3/c1-8-5-19-6-9-15-18(2)4-3-10(22)20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(9)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12-,13-,14+,15+,16-,17?,18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 (Homo sapiens (Human))	BDBM50463170 (CHEMBL4239759) Show SMILES COc1ccc(cc1)C1=C(Cl)C(=O)c2ccc(cc12)-c1ccc(C)cc1 |c:9| Show InChI InChI=1S/C23H17ClO2/c1-14-3-5-15(6-4-14)17-9-12-19-20(13-17)21(22(24)23(19)25)16-7-10-18(26-2)11-8-16/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Hyderabad Curated by ChEMBL					Assay Description Inhibition of recombinant human AlkBH3 assessed as reduction in formaldehyde release using 40-mer single N3-meC as substrate incubated for 60 mins fo...				Bioorg Med Chem 26: 4100-4112 (2018) Article DOI: 10.1016/j.bmc.2018.06.040 BindingDB Entry DOI: 10.7270/Q22B91PG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242318 (CHEMBL4098012) Show SMILES [H][C@]12C[C@@]34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC(=O)C[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,25:23:13.11:27.2.1,5:7:22.13:3,6:5:23.25:11.9,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:21:22:16.15:1,21:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H25NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h10-17,23-24H,1,3-7H2,2H3/t10-,11+,12+,13+,14-,15-,16+,17?,18+,19+,20+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242324 (CHEMBL4072441) Show SMILES [H][C@]12OCCN1C[C@]13CCC[C@@]2(C)[C@@]1([H])CC[C@@]12CC[C@@]([H])(C[C@@]31[H])C(=C)[C@@]2([H])O |r| Show InChI InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19+,20-,21-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242323 (CHEMBL4070917) Show SMILES [H][C@]12[C@@H](O)[C@@]3([H])[C@]4(C1N(CC)C[C@]3(C)CC[C@@H]4OC)[C@]1([H])C[C@@]3([H])CC[C@@]2(O)[C@@]1([H])C(=O)O3 |r,TLB:8:7:4.2:26.28.19,1:7:4:15.16.14,19:6:12.11.8:1.2,THB:16:6:12.11.8:1.2,30:28:6.7.1:21.22.24.25,31:30:19.21:26.24.25,9:8:4:15.16.14| Show InChI InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50562446 (CHEMBL4752301) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CC(C)C)C(O)=O 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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human DHFR measured by spectrophotometric method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112986 BindingDB Entry DOI: 10.7270/Q2SF30W1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 99 total )  |  Next  |  Last  >>

Jump to: