Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'garcia' and Initial = 'ge'   

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
Bifunctional purine biosynthesis protein ATIC (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557564 (CHEMBL4783397) Show SMILES Nc1nc2sc(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557566 (CHEMBL4741259) Show SMILES Nc1nc2sc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557565 (CHEMBL4755197) Show SMILES Nc1nc2sc(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557570 (CHEMBL4761741) Show SMILES Nc1nc2sc(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50249877 ((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...) Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557568 (CHEMBL4790375) Show SMILES Nc1nc2sc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557569 (CHEMBL4759798) Show SMILES Nc1nc2sc(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50557567 (CHEMBL4789686) Show SMILES Nc1nc2sc(CCCCc3ccc(o3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formatio...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557569 (CHEMBL4759798) Show SMILES Nc1nc2sc(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557568 (CHEMBL4790375) Show SMILES Nc1nc2sc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557569 (CHEMBL4759798) Show SMILES Nc1nc2sc(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028685 (CHEMBL3356536) Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C25H22ClN3O3/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557570 (CHEMBL4761741) Show SMILES Nc1nc2sc(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557564 (CHEMBL4783397) Show SMILES Nc1nc2sc(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557570 (CHEMBL4761741) Show SMILES Nc1nc2sc(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557564 (CHEMBL4783397) Show SMILES Nc1nc2sc(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50231951 (2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557566 (CHEMBL4741259) Show SMILES Nc1nc2sc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557568 (CHEMBL4790375) Show SMILES Nc1nc2sc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028681 (CHEMBL3356532) Show SMILES Clc1ccc2c(NCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:10| Show InChI InChI=1S/C25H22ClN3O2/c26-15-9-10-19-21(13-15)29-20-8-4-3-7-18(20)24(19)28-12-11-27-22-14-23(30)16-5-1-2-6-17(16)25(22)31/h1-2,5-6,9-10,13-14,27H,3-4,7-8,11-12H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557567 (CHEMBL4789686) Show SMILES Nc1nc2sc(CCCCc3ccc(o3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557566 (CHEMBL4741259) Show SMILES Nc1nc2sc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028691 (CHEMBL3356951) Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H21Cl2N3O2/c26-14-9-10-18-20(13-14)30-19-8-4-3-7-17(19)22(18)28-11-12-29-23-21(27)24(31)15-5-1-2-6-16(15)25(23)32/h1-2,5-6,9-10,13,29H,3-4,7-8,11-12H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028682 (CHEMBL3356533) Show SMILES Clc1ccc2c(NCCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:11| Show InChI InChI=1S/C26H24ClN3O2/c27-16-10-11-20-22(14-16)30-21-9-4-3-8-19(21)25(20)29-13-5-12-28-23-15-24(31)17-6-1-2-7-18(17)26(23)32/h1-2,6-7,10-11,14-15,28H,3-5,8-9,12-13H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028679 (CHEMBL3356530) Show SMILES O=C1C=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C25H23N3O2/c29-23-15-22(25(30)17-8-2-1-7-16(17)23)26-13-14-27-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,15,26H,4,6,10,12-14H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50557565 (CHEMBL4755197) Show SMILES Nc1nc2sc(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557565 (CHEMBL4755197) Show SMILES Nc1nc2sc(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	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	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028692 (CHEMBL3356952) Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H23Cl2N3O2/c27-15-10-11-19-21(14-15)31-20-9-4-3-8-18(20)23(19)29-12-5-13-30-24-22(28)25(32)16-6-1-2-7-17(16)26(24)33/h1-2,6-7,10-11,14,30H,3-5,8-9,12-13H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50249877 ((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...) Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028686 (CHEMBL3356537) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:31| Show InChI InChI=1S/C26H24ClN3O3/c27-15-9-10-17-20(13-15)30-19-7-2-1-5-16(19)25(17)29-12-4-11-28-21-14-23(32)24-18(26(21)33)6-3-8-22(24)31/h3,6,8-10,13-14,28,31H,1-2,4-5,7,11-12H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor alpha (Homo sapiens (Human))	BDBM50557567 (CHEMBL4789686) Show SMILES Nc1nc2sc(CCCCc3ccc(o3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTite...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028679 (CHEMBL3356530) Show SMILES O=C1C=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C25H23N3O2/c29-23-15-22(25(30)17-8-2-1-7-16(17)23)26-13-14-27-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,15,26H,4,6,10,12-14H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028684 (CHEMBL3356535) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028680 (CHEMBL3356531) Show SMILES O=C1C=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C26H25N3O2/c30-24-16-23(26(31)18-9-2-1-8-17(18)24)27-14-7-15-28-25-19-10-3-5-12-21(19)29-22-13-6-4-11-20(22)25/h1-3,5,8-10,12,16,27H,4,6-7,11,13-15H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Folate receptor beta (Homo sapiens (Human))	BDBM50249877 ((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...) Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
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	23	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028683 (CHEMBL3356534) Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:29| Show InChI InChI=1S/C25H23N3O3/c29-21-11-5-8-17-23(21)22(30)14-20(25(17)31)26-12-13-27-24-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)24/h1,3,5-6,8-9,11,14,26,29H,2,4,7,10,12-13H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028694 (CHEMBL3356954) Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H24ClN3O2/c27-22-24(26(32)17-9-2-1-8-16(17)25(22)31)29-15-7-14-28-23-18-10-3-5-12-20(18)30-21-13-6-4-11-19(21)23/h1-3,5,8-10,12,29H,4,6-7,11,13-15H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028683 (CHEMBL3356534) Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:29| Show InChI InChI=1S/C25H23N3O3/c29-21-11-5-8-17-23(21)22(30)14-20(25(17)31)26-12-13-27-24-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)24/h1,3,5-6,8-9,11,14,26,29H,2,4,7,10,12-13H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028694 (CHEMBL3356954) Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H24ClN3O2/c27-22-24(26(32)17-9-2-1-8-16(17)25(22)31)29-15-7-14-28-23-18-10-3-5-12-20(18)30-21-13-6-4-11-19(21)23/h1-3,5,8-10,12,29H,4,6-7,11,13-15H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028680 (CHEMBL3356531) Show SMILES O=C1C=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C26H25N3O2/c30-24-16-23(26(31)18-9-2-1-8-17(18)24)27-14-7-15-28-25-19-10-3-5-12-21(19)29-22-13-6-4-11-20(22)25/h1-3,5,8-10,12,16,27H,4,6-7,11,13-15H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50557570 (CHEMBL4761741) Show SMILES Nc1nc2sc(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCFT expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter-b...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028693 (CHEMBL3356953) Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H22ClN3O2/c26-21-23(25(31)16-8-2-1-7-15(16)24(21)30)28-14-13-27-22-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)22/h1-3,5,7-9,11,28H,4,6,10,12-14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028693 (CHEMBL3356953) Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H22ClN3O2/c26-21-23(25(31)16-8-2-1-7-15(16)24(21)30)28-14-13-27-22-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)22/h1-3,5,7-9,11,28H,4,6,10,12-14H2,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028684 (CHEMBL3356535) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50557569 (CHEMBL4759798) Show SMILES Nc1nc2sc(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCFT expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter-b...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116093 BindingDB Entry DOI: 10.7270/Q2RF5ZQT
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028682 (CHEMBL3356533) Show SMILES Clc1ccc2c(NCCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:11| Show InChI InChI=1S/C26H24ClN3O2/c27-16-10-11-20-22(14-16)30-21-9-4-3-8-19(21)25(20)29-13-5-12-28-23-15-24(31)17-6-1-2-7-18(17)26(23)32/h1-2,6-7,10-11,14-15,28H,3-5,8-9,12-13H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair

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