Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'naesens' and Initial = 'l'   

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))	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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of DHFR (unknown origin)				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514737 (CHEMBL4482861) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H23N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5-15,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514738 (CHEMBL4536304) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9| Show InChI InChI=1S/C17H21N2O6P/c1-4-24-26(22,25-5-2)15-14-13(10-18-15)16(20)19(17(14)21)11-6-8-12(23-3)9-7-11/h6-10,13-15H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514722 (CHEMBL4438801) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9| Show InChI InChI=1S/C22H22N3O7P/c1-3-31-33(30,32-4-2)22(15-9-6-5-7-10-15)19-18(14-23-22)20(26)24(21(19)27)16-11-8-12-17(13-16)25(28)29/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514727 (CHEMBL4483022) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9| Show InChI InChI=1S/C16H25N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h10-14H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514724 (CHEMBL4535472) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C22H29N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5,7-8,11-12,15,17-19H,3-4,6,9-10,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50467705 (CHEMBL4282830) Show SMILES O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50467710 (CHEMBL4290716) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by Hanes plot analysis				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514745 (CHEMBL4439953) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9| Show InChI InChI=1S/C16H17ClFN2O5P/c1-3-24-26(23,25-4-2)14-13-10(8-19-14)15(21)20(16(13)22)9-5-6-12(18)11(17)7-9/h5-8,10,13-14H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514739 (CHEMBL4467833) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9| Show InChI InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)9-8-7(6-12-9)10(14)13(3)11(8)15/h6-9H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50258940 (CHEMBL4086362) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCP([O-])([O-])=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H21N5O9P2.4Na/c13-12-15-10-9(11(18)16-12)14-6-17(10)3-8(5-26-7-28(22,23)24)4-25-1-2-27(19,20)21;;;;/h6,8H,1-5,7H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18);;;;/q;4*+1/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method				J Med Chem 60: 7539-7554 (2017) Article DOI: 10.1021/acs.jmedchem.7b00926 BindingDB Entry DOI: 10.7270/Q2J968T1
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514718 (CHEMBL4438158) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(18-13-9-6-10-14-18)20-19(15-24-23)21(26)25(22(20)27)16-17-11-7-5-8-12-17/h5-15,19-20H,3-4,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50467712 (CHEMBL4285691) Show SMILES O[C@@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50467708 (CHEMBL4277753) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by Hanes plot analysis				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50089450 (CHEMBL3578115) Show SMILES OP(O)(=O)CCN(CCN(CCP(O)(O)=O)CCP(O)(O)=O)CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C15H29N6O10P3/c22-15-13-14(16-11-17-15)21(12-18-13)4-3-19(5-8-32(23,24)25)1-2-20(6-9-33(26,27)28)7-10-34(29,30)31/h11-12H,1-10H2,(H,16,17,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 4822-38 (2015) Article DOI: 10.1021/acs.jmedchem.5b00611 BindingDB Entry DOI: 10.7270/Q2JH3NXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50433811 (CHEMBL2382332) Show SMILES CC(C)c1ccc(cc1)N(C)c1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50467707 (CHEMBL4280490) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O9P2/c15-14-17-12-11(13(22)18-14)16-7-20(12)8-5-19(10(21)1-3-30(23,24)25)6-9(8)29-2-4-31(26,27)28/h7-9H,1-6H2,(H2,23,24,25)(H2,26,27,28)(H3,15,17,18,22)/t8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50427810 (CHEMBL2325752) Show SMILES Nc1nc2n(CC(COCP(O)(O)=O)COCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H19N5O9P2/c12-11-14-9-8(10(17)15-11)13-4-16(9)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human N-terminal hexahistidine-tagged HGPRT				J Med Chem 56: 2513-26 (2013) Article DOI: 10.1021/jm301893b BindingDB Entry DOI: 10.7270/Q2MW2JGT
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50089449 (CHEMBL3578114) Show SMILES Nc1nc2n(CCN(CCN(CCP(O)(O)=O)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C15H30N7O10P3/c16-15-18-13-12(14(23)19-15)17-11-22(13)4-3-20(5-8-33(24,25)26)1-2-21(6-9-34(27,28)29)7-10-35(30,31)32/h11H,1-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H3,16,18,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 4822-38 (2015) Article DOI: 10.1021/acs.jmedchem.5b00611 BindingDB Entry DOI: 10.7270/Q2JH3NXV
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50089444 (CHEMBL3578110) Show SMILES Nc1nc2n(CCN(CCN(CCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C15H29N7O8P2/c16-15-18-13-12(14(24)19-15)17-11-22(13)4-3-20(6-9-31(25,26)27)1-2-21(5-8-23)7-10-32(28,29)30/h11,23H,1-10H2,(H2,25,26,27)(H2,28,29,30)(H3,16,18,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 4822-38 (2015) Article DOI: 10.1021/acs.jmedchem.5b00611 BindingDB Entry DOI: 10.7270/Q2JH3NXV
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50059910 (CHEMBL3394315) Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)COCCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H22N6O8P2/c13-12-15-10-9(11(19)16-12)14-7-18(10)2-1-17(3-5-27(20,21)22)8-26-4-6-28(23,24)25/h7H,1-6,8H2,(H2,20,21,22)(H2,23,24,25)(H3,13,15,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 827-46 (2015) Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50059908 (CHEMBL3394327) Show SMILES Nc1nc2n(CCN(CCOCCP(O)(O)=O)CCP(O)(O)=O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H23BrN6O8P2/c14-12-16-9-10(17-13(15)18-11(9)21)20(12)2-1-19(4-7-29(22,23)24)3-5-28-6-8-30(25,26)27/h1-8H2,(H2,22,23,24)(H2,25,26,27)(H3,15,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 827-46 (2015) Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50089446 (CHEMBL3578112) Show SMILES Nc1nc2n(CCN(CCN(CCCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C16H31N7O8P2/c17-16-19-14-13(15(25)20-16)18-12-23(14)6-5-22(8-11-33(29,30)31)4-3-21(2-1-9-24)7-10-32(26,27)28/h12,24H,1-11H2,(H2,26,27,28)(H2,29,30,31)(H3,17,19,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 4822-38 (2015) Article DOI: 10.1021/acs.jmedchem.5b00611 BindingDB Entry DOI: 10.7270/Q2JH3NXV
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467707 (CHEMBL4280490) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O9P2/c15-14-17-12-11(13(22)18-14)16-7-20(12)8-5-19(10(21)1-3-30(23,24)25)6-9(8)29-2-4-31(26,27)28/h7-9H,1-6H2,(H2,23,24,25)(H2,26,27,28)(H3,15,17,18,22)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467705 (CHEMBL4282830) Show SMILES O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467710 (CHEMBL4290716) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514734 (CHEMBL4568994) Show SMILES CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:18| Show InChI InChI=1S/C23H24FN2O5P/c1-3-30-32(29,31-4-2)23(14-16-10-12-17(24)13-11-16)20-19(15-25-23)21(27)26(22(20)28)18-8-6-5-7-9-18/h5-13,15,19-20H,3-4,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50392261 (CHEMBL2153480) Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H18N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1,3-7H2,(H2,21,22,23)(H3,14,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 827-46 (2015) Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405066 (CHEMBL268088) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Br)c1 |t:3,6| Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50059909 (CHEMBL3394316) Show SMILES Nc1nc2n(CCN(CCOCCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H24N6O8P2/c14-13-16-11-10(12(20)17-13)15-9-19(11)2-1-18(4-7-28(21,22)23)3-5-27-6-8-29(24,25)26/h9H,1-8H2,(H2,21,22,23)(H2,24,25,26)(H3,14,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 827-46 (2015) Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50268142 (CHEMBL4098313) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCCP([O-])([O-])=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H23N5O9P2/c14-13-16-11-10(12(19)17-13)15-8-18(11)5-9(6-26-1-3-28(20,21)22)7-27-2-4-29(23,24)25/h8-9H,1-7H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,19)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic. Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis				Bioorg Med Chem 25: 4008-4030 (2017) Article DOI: 10.1016/j.bmc.2017.05.048 BindingDB Entry DOI: 10.7270/Q2NS0XCJ
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50258937 (CHEMBL4067618) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCP([O-])([O-])=O)ccc2c(=O)[nH]1 Show InChI InChI=1S/C13H22N4O9P2.4Na/c14-13-15-11-10(12(18)16-13)1-2-17(11)5-9(7-26-8-28(22,23)24)6-25-3-4-27(19,20)21;;;;/h1-2,9H,3-8H2,(H2,19,20,21)(H2,22,23,24)(H3,14,15,16,18);;;;/q;4*+1/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method				J Med Chem 60: 7539-7554 (2017) Article DOI: 10.1021/acs.jmedchem.7b00926 BindingDB Entry DOI: 10.7270/Q2J968T1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50258941 (CHEMBL4078513) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCP([O-])([O-])=O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H20BrN5O9P2.4Na/c13-11-15-8-9(16-12(14)17-10(8)19)18(11)3-7(5-27-6-29(23,24)25)4-26-1-2-28(20,21)22;;;;/h7H,1-6H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,19);;;;/q;4*+1/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method				J Med Chem 60: 7539-7554 (2017) Article DOI: 10.1021/acs.jmedchem.7b00926 BindingDB Entry DOI: 10.7270/Q2J968T1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467708 (CHEMBL4277753) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(F)(F)F |t:3,6| Show InChI InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514743 (CHEMBL4454147) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-10-12-16(23)13-11-15)19-18(14-24-22)20(26)25(21(19)27)17-8-6-5-7-9-17/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50514751 (CHEMBL4554450) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)C(C)(C)C)c1ccccc1 |c:9| Show InChI InChI=1S/C20H27N2O5P/c1-6-26-28(25,27-7-2)20(14-11-9-8-10-12-14)16-15(13-21-20)17(23)22(18(16)24)19(3,4)5/h8-13,15-16H,6-7H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50059913 (CHEMBL3394312) Show SMILES OP(O)(=O)CCOCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H21N5O8P2/c18-12-10-11(13-7-14-12)17(8-15-10)2-1-16(3-5-26(19,20)21)9-25-4-6-27(22,23)24/h7-8H,1-6,9H2,(H,13,14,18)(H2,19,20,21)(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 827-46 (2015) Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467712 (CHEMBL4285691) Show SMILES O[C@@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50086502 (2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...) Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2| Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50268140 (CHEMBL4061954) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCCP([O-])([O-])=O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H22BrN5O9P2/c14-12-16-9-10(17-13(15)18-11(9)20)19(12)5-8(6-27-1-3-29(21,22)23)7-28-2-4-30(24,25)26/h8H,1-7H2,(H2,21,22,23)(H2,24,25,26)(H3,15,17,18,20)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic. Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis				Bioorg Med Chem 25: 4008-4030 (2017) Article DOI: 10.1016/j.bmc.2017.05.048 BindingDB Entry DOI: 10.7270/Q2NS0XCJ
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50059911 (CHEMBL3394314) Show SMILES Nc1nc2n(CCN(CCCCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C13H24N6O7P2/c14-13-16-11-10(12(20)17-13)15-9-19(11)5-4-18(6-8-28(24,25)26)3-1-2-7-27(21,22)23/h9H,1-8H2,(H2,21,22,23)(H2,24,25,26)(H3,14,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 827-46 (2015) Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50268154 (CHEMBL4090466) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(cnc2c(=O)[nH]1)C(COCCP([O-])([O-])=O)COCCP([O-])([O-])=O Show InChI InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)8(5-25-1-3-27(19,20)21)6-26-2-4-28(22,23)24/h7-8H,1-6H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic. Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis				Bioorg Med Chem 25: 4008-4030 (2017) Article DOI: 10.1016/j.bmc.2017.05.048 BindingDB Entry DOI: 10.7270/Q2NS0XCJ
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50258942 (CHEMBL4064903) Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)OCCP([O-])([O-])=O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H20BrN5O9P2.4Na/c13-11-15-8-9(16-12(14)17-10(8)19)18(11)5-7(27-2-4-29(23,24)25)6-26-1-3-28(20,21)22;;;;/h7H,1-6H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,19);;;;/q;4*+1/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method				J Med Chem 60: 7539-7554 (2017) Article DOI: 10.1021/acs.jmedchem.7b00926 BindingDB Entry DOI: 10.7270/Q2J968T1
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467709 (CHEMBL4291117) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O9P2/c20-11(1-3-29(22,23)24)18-5-9(10(6-18)28-2-4-30(25,26)27)19-8-17-12-13(19)15-7-16-14(12)21/h7-10H,1-6H2,(H,15,16,21)(H2,22,23,24)(H2,25,26,27)/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	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 Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50089445 (CHEMBL3578111) Show SMILES OCCN(CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O)CCP(O)(O)=O Show InChI InChI=1S/C15H28N6O8P2/c22-8-5-20(7-10-31(27,28)29)2-1-19(6-9-30(24,25)26)3-4-21-12-18-13-14(21)16-11-17-15(13)23/h11-12,22H,1-10H2,(H,16,17,23)(H2,24,25,26)(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 4822-38 (2015) Article DOI: 10.1021/acs.jmedchem.5b00611 BindingDB Entry DOI: 10.7270/Q2JH3NXV
					More data for this Ligand-Target Pair

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