Compile Data Set for Download or QSAR

Found 438 hits with Last Name = 'rodrigues' and Initial = 'c'   

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
Squalene synthase (Trypanosoma cruzi)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi squalene synthase				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Trypanosoma cruzi)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi squalene synthase				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495338 (CHEMBL3110147) Show SMILES ONC(=O)C1CC(=NO1)c1cccc(Cl)c1 |c:6| Show InChI InChI=1S/C10H9ClN2O3/c11-7-3-1-2-6(4-7)8-5-9(16-13-8)10(14)12-15/h1-4,9,15H,5H2,(H,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495344 (CHEMBL3110154) Show SMILES CC1(CC(=NO1)c1cccc(F)c1)C(=O)NO |c:3| Show InChI InChI=1S/C11H11FN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-3-2-4-8(12)5-7/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495345 (CHEMBL3110149) Show SMILES CCOc1ccccc1C1=NOC(C1)C(=O)NO |t:10| Show InChI InChI=1S/C12H14N2O4/c1-2-17-10-6-4-3-5-8(10)9-7-11(18-14-9)12(15)13-16/h3-6,11,16H,2,7H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	297	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495339 (CHEMBL3110146) Show SMILES ONC(=O)C1CC(=NO1)c1ccccc1Cl |c:6| Show InChI InChI=1S/C10H9ClN2O3/c11-7-4-2-1-3-6(7)8-5-9(16-13-8)10(14)12-15/h1-4,9,15H,5H2,(H,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495349 (CHEMBL3110153) Show SMILES CC1(CC(=NO1)c1cccc(Br)c1)C(=O)NO |c:3| Show InChI InChI=1S/C11H11BrN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-3-2-4-8(12)5-7/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	598	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495343 (CHEMBL3110145) Show SMILES ONC(=O)C1CC(=NO1)c1ccccc1 |c:6| Show InChI InChI=1S/C10H10N2O3/c13-10(11-14)9-6-8(12-15-9)7-4-2-1-3-5-7/h1-5,9,14H,6H2,(H,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	612	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495342 (CHEMBL3110151) Show SMILES ONC(=O)C1CC(=NO1)c1ccc(OCc2ccccc2)cc1 |c:6| Show InChI InChI=1S/C17H16N2O4/c20-17(18-21)16-10-15(19-23-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9,16,21H,10-11H2,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	641	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495349 (CHEMBL3110153) Show SMILES CC1(CC(=NO1)c1cccc(Br)c1)C(=O)NO |c:3| Show InChI InChI=1S/C11H11BrN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-3-2-4-8(12)5-7/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	733	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495343 (CHEMBL3110145) Show SMILES ONC(=O)C1CC(=NO1)c1ccccc1 |c:6| Show InChI InChI=1S/C10H10N2O3/c13-10(11-14)9-6-8(12-15-9)7-4-2-1-3-5-7/h1-5,9,14H,6H2,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	802	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495341 (CHEMBL3110150) Show SMILES CCOc1ccc(cc1)C1=NOC(C1)C(=O)NO |t:10| Show InChI InChI=1S/C12H14N2O4/c1-2-17-9-5-3-8(4-6-9)10-7-11(18-14-10)12(15)13-16/h3-6,11,16H,2,7H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	808	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495342 (CHEMBL3110151) Show SMILES ONC(=O)C1CC(=NO1)c1ccc(OCc2ccccc2)cc1 |c:6| Show InChI InChI=1S/C17H16N2O4/c20-17(18-21)16-10-15(19-23-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9,16,21H,10-11H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	815	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495347 (CHEMBL3110152) Show SMILES CC1(CC(=NO1)c1cccc(Cl)c1)C(=O)NO |c:3| Show InChI InChI=1S/C11H11ClN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-3-2-4-8(12)5-7/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	847	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50205620 (CHEMBL3943212) Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C31H40N2O6/c1-31(2,30(36)32-23-11-7-4-8-12-23)33(27(35)17-21-13-15-24(34)16-14-21)25-19-38-29-26(20-39-28(25)29)37-18-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,25-26,28-29,34H,4,7-8,11-12,17-20H2,1-2H3,(H,32,36)/t25-,26+,28+,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate ...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495346 (CHEMBL3110148) Show SMILES ONC(=O)C1CC(=NO1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C10H9ClN2O3/c11-7-3-1-6(2-4-7)8-5-9(16-13-8)10(14)12-15/h1-4,9,15H,5H2,(H,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495340 (CHEMBL3110155) Show SMILES CC1(CC(=NO1)c1ccccc1F)C(=O)NO |c:3| Show InChI InChI=1S/C11H11FN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-4-2-3-5-8(7)12/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495339 (CHEMBL3110146) Show SMILES ONC(=O)C1CC(=NO1)c1ccccc1Cl |c:6| Show InChI InChI=1S/C10H9ClN2O3/c11-7-4-2-1-3-6(7)8-5-9(16-13-8)10(14)12-15/h1-4,9,15H,5H2,(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495347 (CHEMBL3110152) Show SMILES CC1(CC(=NO1)c1cccc(Cl)c1)C(=O)NO |c:3| Show InChI InChI=1S/C11H11ClN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-3-2-4-8(12)5-7/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495341 (CHEMBL3110150) Show SMILES CCOc1ccc(cc1)C1=NOC(C1)C(=O)NO |t:10| Show InChI InChI=1S/C12H14N2O4/c1-2-17-9-5-3-8(4-6-9)10-7-11(18-14-10)12(15)13-16/h3-6,11,16H,2,7H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495338 (CHEMBL3110147) Show SMILES ONC(=O)C1CC(=NO1)c1cccc(Cl)c1 |c:6| Show InChI InChI=1S/C10H9ClN2O3/c11-7-3-1-2-6(4-7)8-5-9(16-13-8)10(14)12-15/h1-4,9,15H,5H2,(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495344 (CHEMBL3110154) Show SMILES CC1(CC(=NO1)c1cccc(F)c1)C(=O)NO |c:3| Show InChI InChI=1S/C11H11FN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-3-2-4-8(12)5-7/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495340 (CHEMBL3110155) Show SMILES CC1(CC(=NO1)c1ccccc1F)C(=O)NO |c:3| Show InChI InChI=1S/C11H11FN2O3/c1-11(10(15)13-16)6-9(14-17-11)7-4-2-3-5-8(7)12/h2-5,16H,6H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495345 (CHEMBL3110149) Show SMILES CCOc1ccccc1C1=NOC(C1)C(=O)NO |t:10| Show InChI InChI=1S/C12H14N2O4/c1-2-17-10-6-4-3-5-8(10)9-7-11(18-14-9)12(15)13-16/h3-6,11,16H,2,7H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495346 (CHEMBL3110148) Show SMILES ONC(=O)C1CC(=NO1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C10H9ClN2O3/c11-7-3-1-6(2-4-7)8-5-9(16-13-8)10(14)12-15/h1-4,9,15H,5H2,(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495348 (CHEMBL3110156) Show SMILES CCOc1ccccc1C1=NOC(C1)C(=O)NN |t:10| Show InChI InChI=1S/C12H15N3O3/c1-2-17-10-6-4-3-5-8(10)9-7-11(18-15-9)12(16)14-13/h3-6,11H,2,7,13H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495337 (CHEMBL3110157) Show SMILES CCOc1ccc(cc1)C1=NOC(C1)C(=O)NN |t:10| Show InChI InChI=1S/C12H15N3O3/c1-2-17-9-5-3-8(4-6-9)10-7-11(18-15-10)12(16)14-13/h3-6,11H,2,7,13H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50495337 (CHEMBL3110157) Show SMILES CCOc1ccc(cc1)C1=NOC(C1)C(=O)NN |t:10| Show InChI InChI=1S/C12H15N3O3/c1-2-17-9-5-3-8(4-6-9)10-7-11(18-15-10)12(16)14-13/h3-6,11H,2,7,13H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50495348 (CHEMBL3110156) Show SMILES CCOc1ccccc1C1=NOC(C1)C(=O)NN |t:10| Show InChI InChI=1S/C12H15N3O3/c1-2-17-10-6-4-3-5-8(10)9-7-11(18-15-9)12(16)14-13/h3-6,11H,2,7,13H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Militar de Engenharia Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay				J Med Chem 57: 298-308 (2014) Article DOI: 10.1021/jm400902y BindingDB Entry DOI: 10.7270/Q28K7D2G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032162 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,7-dihydro-...) Show SMILES O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.331	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032161 (3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-7-methyl-5,7...) Show SMILES CN1C(=O)Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc12 Show InChI InChI=1S/C24H27N3O2/c1-26-22-15-23-20(13-19(22)14-24(26)28)21(25-29-23)8-7-17-9-11-27(12-10-17)16-18-5-3-2-4-6-18/h2-6,13,15,17H,7-12,14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.479	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417809 (CHEMBL1651249) Show SMILES Oc1ccc(CN2CCC(CCC(=O)c3cc4CCC(=O)n5ccc(c3)c45)CC2)cc1 Show InChI InChI=1S/C26H28N2O3/c29-23-5-1-19(2-6-23)17-27-12-9-18(10-13-27)3-7-24(30)22-15-20-4-8-25(31)28-14-11-21(16-22)26(20)28/h1-2,5-6,11,14-16,18,29H,3-4,7-10,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032164 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dihydroiso...) Show SMILES O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Show InChI InChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.575	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417798 (CHEMBL1651247) Show SMILES C(Cc1noc2cc(ccc12)C1CCCCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H34N2O/c1-3-7-22(8-4-1)20-29-17-15-21(16-18-29)11-14-26-25-13-12-24(19-27(25)30-28-26)23-9-5-2-6-10-23/h1,3-4,7-8,12-13,19,21,23H,2,5-6,9-11,14-18,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032163 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5H-isoxazolo[5...) Show SMILES O=C1Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2N1 Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-22-19(14-21(18)24-23)20(25-28-22)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.955	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417791 (CHEMBL1651139) Show SMILES Oc1ccccc1CN1CCC(CCC(=O)c2cc3CCC(=O)n4ccc(c2)c34)CC1 Show InChI InChI=1S/C26H28N2O3/c29-23-4-2-1-3-21(23)17-27-12-9-18(10-13-27)5-7-24(30)22-15-19-6-8-25(31)28-14-11-20(16-22)26(19)28/h1-4,11,14-16,18,29H,5-10,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417787 (CHEMBL1651132) Show SMILES Fc1cccc(CN2CCC(CCC(=O)c3cc4CCC(=O)n5ccc(c3)c45)CC2)c1 Show InChI InChI=1S/C26H27FN2O2/c27-23-3-1-2-19(14-23)17-28-11-8-18(9-12-28)4-6-24(30)22-15-20-5-7-25(31)29-13-10-21(16-22)26(20)29/h1-3,10,13-16,18H,4-9,11-12,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417786 (CHEMBL1651131) Show SMILES Fc1ccccc1CN1CCC(CCC(=O)c2cc3CCC(=O)n4ccc(c2)c34)CC1 Show InChI InChI=1S/C26H27FN2O2/c27-23-4-2-1-3-21(23)17-28-12-9-18(10-13-28)5-7-24(30)22-15-19-6-8-25(31)29-14-11-20(16-22)26(19)29/h1-4,11,14-16,18H,5-10,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032165 (CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...) Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417793 (CHEMBL1651243) Show SMILES [O-][N+](=O)c1cccc(CN2CCC(CCC(=O)c3cc4CCC(=O)n5ccc(c3)c45)CC2)c1 Show InChI InChI=1S/C26H27N3O4/c30-24(22-15-20-5-7-25(31)28-13-10-21(16-22)26(20)28)6-4-18-8-11-27(12-9-18)17-19-2-1-3-23(14-19)29(32)33/h1-3,10,13-16,18H,4-9,11-12,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50032160 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-6H-isoxazolo[5...) Show SMILES O=C1Cc2c(N1)ccc1c(CCC3CCN(Cc4ccccc4)CC3)noc21 Show InChI InChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.63	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417785 (CHEMBL1651129) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2CC(=O)N3CCCc(c1)c23 Show InChI InChI=1S/C26H30N2O2/c29-24(22-15-21-7-4-12-28-25(30)17-23(16-22)26(21)28)9-8-19-10-13-27(14-11-19)18-20-5-2-1-3-6-20/h1-3,5-6,15-16,19H,4,7-14,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417799 (CHEMBL1651248) Show SMILES Fc1ccc(CN2CCC(CCC(=O)c3cc4CCC(=O)n5ccc(c3)c45)CC2)cc1 Show InChI InChI=1S/C26H27FN2O2/c27-23-5-1-19(2-6-23)17-28-12-9-18(10-13-28)3-7-24(30)22-15-20-4-8-25(31)29-14-11-21(16-22)26(20)29/h1-2,5-6,11,14-16,18H,3-4,7-10,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417788 (CHEMBL1651134) Show SMILES Clc1cccc(CN2CCC(CCC(=O)c3cc4CCC(=O)n5ccc(c3)c45)CC2)c1 Show InChI InChI=1S/C26H27ClN2O2/c27-23-3-1-2-19(14-23)17-28-11-8-18(9-12-28)4-6-24(30)22-15-20-5-7-25(31)29-13-10-21(16-22)26(20)29/h1-3,10,13-16,18H,4-9,11-12,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50417803 (CHEMBL1651133) Show SMILES Clc1ccccc1CN1CCC(CCC(=O)c2cc3CCC(=O)n4ccc(c2)c34)CC1 Show InChI InChI=1S/C26H27ClN2O2/c27-23-4-2-1-3-21(23)17-28-12-9-18(10-13-28)5-7-24(30)22-15-19-6-8-25(31)29-14-11-20(16-22)26(19)29/h1-4,11,14-16,18H,5-10,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277559 (CHEMBL4162056) Show SMILES CCOCc1cn(nn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c1-2-16-8-10-7-15(14-13-10)11-5-3-9(12)4-6-11/h3-7H,2,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50039729 (3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dimethylbe...) Show SMILES Cc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C Show InChI InChI=1S/C23H28N2O/c1-17-14-21-22(24-26-23(21)15-18(17)2)9-8-19-10-12-25(13-11-19)16-20-6-4-3-5-7-20/h3-7,14-15,19H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.75	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50590814 (CHEMBL5182359) Show SMILES CC(C)(C)Oc1cc(ccc1C1=N[C@H]([C@H](N1C(=O)N1CCNC(=O)C1)c1c[nH]c2ccc(Cl)cc12)c1ccc(cc1)C(O)=O)C(=O)CC(N)=O |r,t:12| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114637 BindingDB Entry DOI: 10.7270/Q29C72CM
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair

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