Compile Data Set for Download or QSAR

Found 634 hits with Last Name = 'camarasa' and Initial = 'mj'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116384 (1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1 Show InChI InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116371 (3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...) Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116382 (1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-...) Show SMILES CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C20H20N4O2/c1-14(2)12-24-19(25)17-18(21-16-10-6-7-11-22(16)17)23(20(24)26)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116375 (1-(4-Methoxy-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza...) Show SMILES CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-11-23-19(25)17-18(21-16-6-4-5-12-22(16)17)24(20(23)26)13-14-7-9-15(27-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116368 (1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116373 (1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluore...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C Show InChI InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116382 (1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-...) Show SMILES CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C20H20N4O2/c1-14(2)12-24-19(25)17-18(21-16-10-6-7-11-22(16)17)23(20(24)26)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116367 (1-Benzyl-7-phenyl-3-propyl-1H-1,3,4b,9-tetraaza-fl...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)-c1ccccc1 Show InChI InChI=1S/C25H22N4O2/c1-2-14-28-24(30)22-23(29(25(28)31)17-18-9-5-3-6-10-18)26-21-16-20(13-15-27(21)22)19-11-7-4-8-12-19/h3-13,15-16H,2,14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116379 (1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...) Show SMILES CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116371 (3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...) Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116377 (1-(3-Methyl-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza-...) Show SMILES CCCn1c(=O)n(Cc2cccc(C)c2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C20H20N4O2/c1-3-10-23-19(25)17-18(21-16-9-4-5-11-22(16)17)24(20(23)26)13-15-8-6-7-14(2)12-15/h4-9,11-12H,3,10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116381 (1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dio...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116375 (1-(4-Methoxy-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza...) Show SMILES CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-11-23-19(25)17-18(21-16-6-4-5-12-22(16)17)24(20(23)26)13-14-7-9-15(27-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116373 (1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluore...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C Show InChI InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116366 (1-Benzyl-3-cyclohexylmethyl-1H-1,3,4b,9-tetraaza-f...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CCCCC1 Show InChI InChI=1S/C23H24N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116370 (1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116373 (1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluore...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C Show InChI InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116371 (3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...) Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116368 (1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50612874 (CHEMBL5269349) Show SMILES OC(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C[n+]1nn(cc1CCCCN)-c1ccc(-c2nc(CCc3ccc(cc3)-c3ccccc3)cs2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	UniChem		200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116369 (1-Benzyl-7-phenyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES O=c1[nH]c(=O)c2c(nc3cc(ccn23)-c2ccccc2)n1Cc1ccccc1 Show InChI InChI=1S/C22H16N4O2/c27-21-19-20(26(22(28)24-21)14-15-7-3-1-4-8-15)23-18-13-17(11-12-25(18)19)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116374 (1-Benzyl-7-methoxy-1H-1,3,4b,9-tetraaza-fluorene-2...) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 Show InChI InChI=1S/C17H14N4O3/c1-24-12-7-8-20-13(9-12)18-15-14(20)16(22)19-17(23)21(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116380 (1-Benzyl-3-(4-methoxy-benzyl)-1H-1,3,4b,9-tetraaza...) Show SMILES COc1ccc(Cn2c(=O)n(Cc3ccccc3)c3nc4ccccn4c3c2=O)cc1 Show InChI InChI=1S/C24H20N4O3/c1-31-19-12-10-18(11-13-19)16-28-23(29)21-22(25-20-9-5-6-14-26(20)21)27(24(28)30)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116384 (1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-...) Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1 Show InChI InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50332931 (1-[4-(1,1-Dioxo-1H-1lambda-6-naphtho[1,8-cd]isothi...) Show SMILES Cc1cn(C\C=C\CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)[nH]c1=O Show InChI InChI=1S/C19H17N3O4S/c1-13-12-21(19(24)20-18(13)23)10-2-3-11-22-15-8-4-6-14-7-5-9-16(17(14)15)27(22,25)26/h2-9,12H,10-11H2,1H3,(H,20,23,24)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
					More data for this Ligand-Target Pair
Thymidine kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50200995 (1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]th...) Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O Show InChI InChI=1S/C29H31N3O3/c1-23-22-32(28(34)31-27(23)33)20-10-2-3-11-21-35-29(24-12-6-4-7-13-24,25-14-8-5-9-15-25)26-16-18-30-19-17-26/h4-9,12-19,22H,2-3,10-11,20-21H2,1H3,(H,31,33,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of TK2				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50332938 (5-Bromo-1-[4-(2,2-dioxo-4,5-dihydro-3H-2lambda-6-t...) Show SMILES Brc1cn(C\C=C\CN2c3cccc4CCCN(c34)S2(=O)=O)c(=O)[nH]c1=O Show InChI InChI=1S/C17H17BrN4O4S/c18-13-11-20(17(24)19-16(13)23)8-1-2-9-21-14-7-3-5-12-6-4-10-22(15(12)14)27(21,25)26/h1-3,5,7,11H,4,6,8-10H2,(H,19,23,24)/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116379 (1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...) Show SMILES CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116378 (1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione |...) Show SMILES O=c1[nH]c(=O)c2c(nc3ccccn23)n1Cc1ccccc1 Show InChI InChI=1S/C16H12N4O2/c21-15-13-14(17-12-8-4-5-9-19(12)13)20(16(22)18-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116372 (1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaz...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C Show InChI InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50332930 (5-methyl-1-(4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-...) Show SMILES Cc1cn(C\C=C\CN2C(=O)c3cccc4cccc2c34)c(=O)[nH]c1=O Show InChI InChI=1S/C20H17N3O3/c1-13-12-22(20(26)21-18(13)24)10-2-3-11-23-16-9-5-7-14-6-4-8-15(17(14)16)19(23)25/h2-9,12H,10-11H2,1H3,(H,21,24,26)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
					More data for this Ligand-Target Pair
Thymidine kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50118490 (1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-	Reactome pathway KEGG UniProtKB/SwissProt 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
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of TK2				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50571699 (CHEMBL4855840) Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 12.5 uM TS2 by DTNB-reagent based ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00206 BindingDB Entry DOI: 10.7270/Q24T6P4G
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50571699 (CHEMBL4855840) Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 6.2 uM TS2 by DTNB-reagent based s...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00206 BindingDB Entry DOI: 10.7270/Q24T6P4G
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116383 (1-Benzyl-7-tert-butyl-1H-1,3,4b,9-tetraaza-fluoren...) Show SMILES CC(C)(C)c1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 Show InChI InChI=1S/C20H20N4O2/c1-20(2,3)14-9-10-23-15(11-14)21-17-16(23)18(25)22-19(26)24(17)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	555	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50332937 (1-[4-(2,2-Dioxo-4,5-dihydro-3H-2lambda-6-thia-1,2a...) Show SMILES Cc1cn(C\C=C\CN2c3cccc4CCCN(c34)S2(=O)=O)c(=O)[nH]c1=O Show InChI InChI=1S/C18H20N4O4S/c1-13-12-20(18(24)19-17(13)23)9-2-3-10-21-15-8-4-6-14-7-5-11-22(16(14)15)27(21,25)26/h2-4,6,8,12H,5,7,9-11H2,1H3,(H,19,23,24)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50116379 (1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...) Show SMILES CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	584	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50571699 (CHEMBL4855840) Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 3.1 uM TS2 by DTNB-reagent based s...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00206 BindingDB Entry DOI: 10.7270/Q24T6P4G
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50571699 (CHEMBL4855840) Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 25 uM TS2 by DTNB-reagent based sp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00206 BindingDB Entry DOI: 10.7270/Q24T6P4G
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50332935 (CHEMBL1631395 | N-(1-(4-(5-methyl-2,4-dioxo-3,4-di...) Show SMILES CC(=O)Nc1cc2CCCn3c2c(c1)n(C\C=C\Cn1cc(C)c(=O)[nH]c1=O)c3=O Show InChI InChI=1S/C21H23N5O4/c1-13-12-24(20(29)23-19(13)28)7-3-4-8-25-17-11-16(22-14(2)27)10-15-6-5-9-26(18(15)17)21(25)30/h3-4,10-12H,5-9H2,1-2H3,(H,22,27)(H,23,28,29)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116372 (1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaz...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C Show InChI InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116385 (4-(1-Benzyl-2,4-dioxo-1,4-dihydro-2H-1,3,4b,9-tetr...) Show SMILES COC(=O)\C=C\Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C21H18N4O4/c1-29-17(26)11-7-13-24-20(27)18-19(22-16-10-5-6-12-23(16)18)25(21(24)28)14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3/b11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50332932 (5-methyl-1-(4-(2-oxo-2,4,5,6-tetrahydro-1H-imidazo...) Show SMILES Cc1cn(C\C=C\Cn2c3cccc4CCCn(c34)c2=O)c(=O)[nH]c1=O Show InChI InChI=1S/C19H20N4O3/c1-13-12-21(18(25)20-17(13)24)9-2-3-10-22-15-8-4-6-14-7-5-11-23(16(14)15)19(22)26/h2-4,6,8,12H,5,7,9-11H2,1H3,(H,20,24,25)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry				Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH
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Trypanothione reductase (Leishmania infantum)	BDBM50612874 (CHEMBL5269349) Show SMILES OC(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C[n+]1nn(cc1CCCCN)-c1ccc(-c2nc(CCc3ccc(cc3)-c3ccccc3)cs2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	UniChem		1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50571699 (CHEMBL4855840) Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 100 uM TS2 by DTNB-reagent based s...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00206 BindingDB Entry DOI: 10.7270/Q24T6P4G
					More data for this Ligand-Target Pair
Trypanothione reductase (Leishmania infantum)	BDBM50571699 (CHEMBL4855840) Show SMILES OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 50 uM TS2 by DTNB-reagent based sp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00206 BindingDB Entry DOI: 10.7270/Q24T6P4G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116372 (1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaz...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C Show InChI InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50116376 (1-Methyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...) Show SMILES CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O Show InChI InChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor				J Med Chem 45: 3337-44 (2002) BindingDB Entry DOI: 10.7270/Q2H994JM
					More data for this Ligand-Target Pair

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