Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'mclean' and Initial = 'ew'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4690 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H41N3O10S/c1-22(2)17-37(48(40,41)26-10-11-30-31(16-26)46-21-45-30)18-29(38)28(36-34(39)47-32-20-44-33-27(32)12-14-42-33)15-23-6-8-25(9-7-23)43-19-24-5-3-4-13-35-24/h3-11,13,16,22,27-29,32-33,38H,12,14-15,17-21H2,1-2H3,(H,36,39)/t27-,28-,29+,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.00000600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW0385 from HIV1 protease				Bioorg Med Chem Lett 16: 1788-94 (2006) Article DOI: 10.1016/j.bmcl.2006.01.035 BindingDB Entry DOI: 10.7270/Q2WS8V1F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4685 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0000150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW0385 from HIV1 protease				Bioorg Med Chem Lett 16: 1788-94 (2006) Article DOI: 10.1016/j.bmcl.2006.01.035 BindingDB Entry DOI: 10.7270/Q2WS8V1F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042365 (CHEMBL117417 | [3-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3cccc(CSCP(O)(O)=O)c3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O4PS/c15-14-17-12-11(13(20)18-14)16-7-19(12)5-9-2-1-3-10(4-9)6-25-8-24(21,22)23/h1-4,7H,5-6,8H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033660 (CHEMBL269745 | {[5-(2-Amino-6-oxo-1,6-dihydro-puri...) Show SMILES Nc1nc2n(CCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H19N5O6P2/c12-11-14-9-8(10(17)15-11)13-6-16(9)4-2-1-3-5-23(18,19)7-24(20,21)22/h6H,1-5,7H2,(H,18,19)(H2,20,21,22)(H3,12,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033663 (CHEMBL7319 | {[6-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES Nc1nc2n(CCCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H21N5O6P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)5-3-1-2-4-6-24(19,20)8-25(21,22)23/h7H,1-6,8H2,(H,19,20)(H2,21,22,23)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033666 (2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...) Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033666 (2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...) Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042370 (CHEMBL326595 | [3-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3cccc(COCP(O)(O)=O)c3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O5P/c15-14-17-12-11(13(20)18-14)16-7-19(12)5-9-2-1-3-10(4-9)6-24-8-25(21,22)23/h1-4,7H,5-6,8H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042364 (CHEMBL327010 | [2-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3ccccc3OCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H14N5O5P/c14-13-16-11-10(12(19)17-13)15-6-18(11)5-8-3-1-2-4-9(8)23-7-24(20,21)22/h1-4,6H,5,7H2,(H2,20,21,22)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033661 (CHEMBL7247 | {[7-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES Nc1nc2n(CCCCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H23N5O6P2/c14-13-16-11-10(12(19)17-13)15-8-18(11)6-4-2-1-3-5-7-25(20,21)9-26(22,23)24/h8H,1-7,9H2,(H,20,21)(H2,22,23,24)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033666 (2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...) Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042372 (CHEMBL117127 | {3-[3-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3cccc(CCCP(O)(O)=O)c3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C15H18N5O4P/c16-15-18-13-12(14(21)19-15)17-9-20(13)8-11-4-1-3-10(7-11)5-2-6-25(22,23)24/h1,3-4,7,9H,2,5-6,8H2,(H2,22,23,24)(H3,16,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042363 (CHEMBL333946 | {2-[2-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3ccccc3CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-4,8H,5-7H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042367 (CHEMBL325716 | {3-[3-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3cccc(C=CCP(O)(O)=O)c3)cnc2c(=O)[nH]1 |w:12.12| Show InChI InChI=1S/C15H16N5O4P/c16-15-18-13-12(14(21)19-15)17-9-20(13)8-11-4-1-3-10(7-11)5-2-6-25(22,23)24/h1-5,7,9H,6,8H2,(H2,22,23,24)(H3,16,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042369 (CHEMBL119243 | {2-[3-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3cccc(COCCP(O)(O)=O)c3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C15H18N5O5P/c16-15-18-13-12(14(21)19-15)17-9-20(13)7-10-2-1-3-11(6-10)8-25-4-5-26(22,23)24/h1-3,6,9H,4-5,7-8H2,(H2,22,23,24)(H3,16,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033664 (CHEMBL7068 | {[4-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES Nc1nc2n(CCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H17N5O6P2/c11-10-13-8-7(9(16)14-10)12-5-15(8)3-1-2-4-22(17,18)6-23(19,20)21/h5H,1-4,6H2,(H,17,18)(H2,19,20,21)(H3,11,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042362 (CHEMBL331133 | [2-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3ccccc3COCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O5P/c15-14-17-12-11(13(20)18-14)16-7-19(12)5-9-3-1-2-4-10(9)6-24-8-25(21,22)23/h1-4,7H,5-6,8H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033663 (CHEMBL7319 | {[6-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES Nc1nc2n(CCCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H21N5O6P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)5-3-1-2-4-6-24(19,20)8-25(21,22)23/h7H,1-6,8H2,(H,19,20)(H2,21,22,23)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042366 (CHEMBL116580 | [3-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3cccc(OCP(O)(O)=O)c3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H14N5O5P/c14-13-16-11-10(12(19)17-13)15-6-18(11)5-8-2-1-3-9(4-8)23-7-24(20,21)22/h1-4,6H,5,7H2,(H2,20,21,22)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033660 (CHEMBL269745 | {[5-(2-Amino-6-oxo-1,6-dihydro-puri...) Show SMILES Nc1nc2n(CCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H19N5O6P2/c12-11-14-9-8(10(17)15-11)13-6-16(9)4-2-1-3-5-23(18,19)7-24(20,21)22/h6H,1-5,7H2,(H,18,19)(H2,20,21,22)(H3,12,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042361 (CHEMBL324839 | {3-[2-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3ccccc3OCCCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C15H18N5O5P/c16-15-18-13-12(14(21)19-15)17-9-20(13)8-10-4-1-2-5-11(10)25-6-3-7-26(22,23)24/h1-2,4-5,9H,3,6-8H2,(H2,22,23,24)(H3,16,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033665 (CHEMBL268378 | {[5-(2-Amino-6-oxo-1,6-dihydro-puri...) Show SMILES CCOP(O)(=O)CP(O)(=O)CCCCCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H23N5O6P2/c1-2-24-26(22,23)9-25(20,21)7-5-3-4-6-18-8-15-10-11(18)16-13(14)17-12(10)19/h8H,2-7,9H2,1H3,(H,20,21)(H,22,23)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033661 (CHEMBL7247 | {[7-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES Nc1nc2n(CCCCCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H23N5O6P2/c14-13-16-11-10(12(19)17-13)15-8-18(11)6-4-2-1-3-5-7-25(20,21)9-26(22,23)24/h8H,1-7,9H2,(H,20,21)(H2,22,23,24)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033662 (CHEMBL7194 | {Hydroxy-[5-(2-hydroxy-6-oxo-1,6-dihy...) Show SMILES OP(O)(=O)CP(O)(=O)CCCCCn1cnc2c1[nH]c(=O)[nH]c2=O Show InChI InChI=1S/C11H18N4O7P2/c16-10-8-9(13-11(17)14-10)15(6-12-8)4-2-1-3-5-23(18,19)7-24(20,21)22/h6H,1-5,7H2,(H,18,19)(H2,20,21,22)(H2,13,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033664 (CHEMBL7068 | {[4-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES Nc1nc2n(CCCCP(O)(=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H17N5O6P2/c11-10-13-8-7(9(16)14-10)12-5-15(8)3-1-2-4-22(17,18)6-23(19,20)21/h5H,1-4,6H2,(H,17,18)(H2,19,20,21)(H3,11,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042360 (CHEMBL117588 | [4-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3ccc(COCP(O)(O)=O)cc3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O5P/c15-14-17-12-11(13(20)18-14)16-7-19(12)5-9-1-3-10(4-2-9)6-24-8-25(21,22)23/h1-4,7H,5-6,8H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042368 (CHEMBL446671 | [4-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3ccc(cc3)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H12N5O4P/c13-12-15-10-9(11(18)16-12)14-6-17(10)5-7-1-3-8(4-2-7)22(19,20)21/h1-4,6H,5H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033665 (CHEMBL268378 | {[5-(2-Amino-6-oxo-1,6-dihydro-puri...) Show SMILES CCOP(O)(=O)CP(O)(=O)CCCCCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H23N5O6P2/c1-2-24-26(22,23)9-25(20,21)7-5-3-4-6-18-8-15-10-11(18)16-13(14)17-12(10)19/h8H,2-7,9H2,1H3,(H,20,21)(H,22,23)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50033662 (CHEMBL7194 | {Hydroxy-[5-(2-hydroxy-6-oxo-1,6-dihy...) Show SMILES OP(O)(=O)CP(O)(=O)CCCCCn1cnc2c1[nH]c(=O)[nH]c2=O Show InChI InChI=1S/C11H18N4O7P2/c16-10-8-9(13-11(17)14-10)15(6-12-8)4-2-1-3-5-23(18,19)7-24(20,21)22/h6H,1-5,7H2,(H,18,19)(H2,20,21,22)(H2,13,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)				J Med Chem 38: 1005-14 (1995) BindingDB Entry DOI: 10.7270/Q2FF3RDR
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042371 (CHEMBL327003 | [4-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(Cc3ccc(OCP(O)(O)=O)cc3)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H14N5O5P/c14-13-16-11-10(12(19)17-13)15-6-18(11)5-8-1-3-9(4-2-8)23-7-24(20,21)22/h1-4,6H,5,7H2,(H2,20,21,22)(H3,14,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50122955 (2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...) Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Monoamine oxidase B (MAO-B)				J Med Chem 46: 399-408 (2003) Article DOI: 10.1021/jm020067s BindingDB Entry DOI: 10.7270/Q2VH5N7F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) against hog liver				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Triglutamyl homologue inhibition activity against AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50014844 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) from L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50122955 (2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...) Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Monoamine oxidase A (MAO-A)				J Med Chem 46: 399-408 (2003) Article DOI: 10.1021/jm020067s BindingDB Entry DOI: 10.7270/Q2VH5N7F
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Protein-lysine 6-oxidase (Homo sapiens (Human))	BDBM50122955 (2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...) Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against lysyl oxidase				J Med Chem 46: 399-408 (2003) Article DOI: 10.1021/jm020067s BindingDB Entry DOI: 10.7270/Q2VH5N7F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50014844 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase from hog liver				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Mus musculus)	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair