Compile Data Set for Download or QSAR

Found 65 hits from Radboud University Nijmegen Medical Centre   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172899 (3,4-diarylpyrazoline derivative | CHEMBL195050) Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:10.10,c:15| Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172900 (3,4-diarylpyrazoline derivative | CHEMBL197040) Show SMILES CN=C(NS(=O)(=O)N1CCCCCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18| Show InChI InChI=1S/C23H28ClN5O2S/c1-25-23(27-32(30,31)28-15-7-2-3-8-16-28)29-17-21(18-9-5-4-6-10-18)22(26-29)19-11-13-20(24)14-12-19/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172909 (3,4-diarylpyrazoline derivative | CHEMBL372650) Show SMILES CN=C(NS(=O)(=O)N(C)C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:13| Show InChI InChI=1S/C19H22ClN5O2S/c1-21-19(23-28(26,27)24(2)3)25-13-17(14-7-5-4-6-8-14)18(22-25)15-9-11-16(20)12-10-15/h4-12,17H,13H2,1-3H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172904 (3,4-diarylpyrazoline derivative | CHEMBL196989) Show SMILES CN=C(NS(=O)(=O)N1CCCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:16| Show InChI InChI=1S/C21H24ClN5O2S/c1-23-21(25-30(28,29)26-13-5-6-14-26)27-15-19(16-7-3-2-4-8-16)20(24-27)17-9-11-18(22)12-10-17/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	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 PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50333132 (CHEMBL1644701 | sodium iminodisulfate) Show SMILES [O-]S(=O)(=O)ONOS([O-])(=O)=O Show InChI InChI=1S/H3NO8S2/c2-10(3,4)8-1-9-11(5,6)7/h1H,(H,2,3,4)(H,5,6,7)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389841 (CHEMBL2070717) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)[nH]n1 Show InChI InChI=1S/C20H16N6OS/c1-12-10-17(25-24-12)23-18(27)11-28-20-22-14-7-3-2-6-13(14)19-21-15-8-4-5-9-16(15)26(19)20/h2-10H,11H2,1H3,(H2,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389831 (CHEMBL2070727) Show SMILES COCC1=NC(NC(O)C1)=Nc1nc(C)c2ccccc2n1 |w:10.11,t:3| Show InChI InChI=1S/C15H17N5O2/c1-9-11-5-3-4-6-12(11)18-14(16-9)20-15-17-10(8-22-2)7-13(21)19-15/h3-6,13,21H,7-8H2,1-2H3,(H,16,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50333132 (CHEMBL1644701 | sodium iminodisulfate) Show SMILES [O-]S(=O)(=O)ONOS([O-])(=O)=O Show InChI InChI=1S/H3NO8S2/c2-10(3,4)8-1-9-11(5,6)7/h1H,(H,2,3,4)(H,5,6,7)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50389828 (CHEMBL2070834) Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-14(2)17-8-7-15(3)11-18(17)21-13-16(20)12-19-9-5-4-6-10-19/h7-8,11,14,16,20H,4-6,9-10,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human ADRB2 expressed in HEK293T cells after 1 hr by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM44650 (1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazo...) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 Show InChI InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389839 (CHEMBL2070719) Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2c(C)cccc2s1 Show InChI InChI=1S/C19H23N5O3S2/c1-11-5-4-6-15-16(11)20-19(28-15)21-18(25)14-7-9-24(10-8-14)29(26,27)17-12(2)22-23-13(17)3/h4-6,14H,7-10H2,1-3H3,(H,22,23)(H,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM51080 (4-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-1...) Show SMILES CCOC(=O)c1[nH]cnc1N=Nc1c(O)ccc2ccccc12 |w:10.10| Show InChI InChI=1S/C16H14N4O3/c1-2-23-16(22)14-15(18-9-17-14)20-19-13-11-6-4-3-5-10(11)7-8-12(13)21/h3-9,21H,2H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Noncompetitive inhibition of MRP1-mediated E2-17betaG transport in human MRP1 expressing HEK293 cells by Dixon plot				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389837 (CHEMBL2070721) Show SMILES Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3cccs3)nc12 Show InChI InChI=1S/C14H13N3O3S3/c1-9-4-2-5-10-13(9)17-14(22-10)16-11(18)8-15-23(19,20)12-6-3-7-21-12/h2-7,15H,8H2,1H3,(H,16,17,18)	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389846 (CHEMBL2070720) Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(O)c(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H16N4O2/c21-13-7-5-12(6-8-13)20(26)22-14-9-10-18(25)15(11-14)19-23-16-3-1-2-4-17(16)24-19/h1-11,25H,21H2,(H,22,26)(H,23,24)	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50389827 (CHEMBL1907082) Show SMILES Cc1ccc(C)c(OCC(O)CNC2CCCC2)c1 Show InChI InChI=1S/C16H25NO2/c1-12-7-8-13(2)16(9-12)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human ADRB2 expressed in HEK293T cells after 1 hr by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389832 (CHEMBL2070726) Show SMILES CC1CCN(CC1)C(=O)c1ccc2c(c1)n1nnc(-c3ccccc3)c1[nH]c2=O Show InChI InChI=1S/C22H21N5O2/c1-14-9-11-26(12-10-14)22(29)16-7-8-17-18(13-16)27-20(23-21(17)28)19(24-25-27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389834 (CHEMBL2070725) Show SMILES Cc1nc2[nH]c3ccccc3n2c(=O)c1CCOC(=O)C1CCCCC1 Show InChI InChI=1S/C20H23N3O3/c1-13-15(11-12-26-19(25)14-7-3-2-4-8-14)18(24)23-17-10-6-5-9-16(17)22-20(23)21-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389835 (CHEMBL2070724) Show SMILES Cc1cnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc32)s1 Show InChI InChI=1S/C16H14N6OS2/c1-8-3-4-11-10(5-8)13-14(18-11)20-16(22-21-13)24-7-12(23)19-15-17-6-9(2)25-15/h3-6H,7H2,1-2H3,(H,17,19,23)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389845 (CHEMBL1362986) Show SMILES NC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=Nc1nc2ccccc2o1 |w:1.1| Show InChI InChI=1S/C25H19N5O4/c26-24(29-25-27-18-12-6-7-13-20(18)34-25)28-21(31)19(14-15-8-2-1-3-9-15)30-22(32)16-10-4-5-11-17(16)23(30)33/h1-13,19H,14H2,(H3,26,27,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Noncompetitive inhibition of MRP4-mediated E2-17betaG transport in human MRP4 expressing HEK293 cells by Dixon plot				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389833 (CHEMBL1089322) Show SMILES COc1cc(CN=Nc2ncnc3sc4CCCCc4c23)ccc1O |w:7.7| Show InChI InChI=1S/C18H18N4O2S/c1-24-14-8-11(6-7-13(14)23)9-21-22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17/h6-8,10,23H,2-5,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389844 (CHEMBL2070728) Show SMILES NS(=O)(=O)c1ccc(cc1)N=NC(C#N)c1nc2ccccc2[nH]1 |w:10.10| Show InChI InChI=1S/C15H12N6O2S/c16-9-14(15-18-12-3-1-2-4-13(12)19-15)21-20-10-5-7-11(8-6-10)24(17,22)23/h1-8,14H,(H,18,19)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389829 (CHEMBL2070833) Show SMILES OC(COc1ccc2C(=O)c3ccccc3C(=O)c2c1)CN1CCCCC1 Show InChI InChI=1S/C22H23NO4/c24-15(13-23-10-4-1-5-11-23)14-27-16-8-9-19-20(12-16)22(26)18-7-3-2-6-17(18)21(19)25/h2-3,6-9,12,15,24H,1,4-5,10-11,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389830 (CHEMBL1714515) Show SMILES O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1 Show InChI InChI=1S/C18H13N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389836 (CHEMBL2070722) Show SMILES NC(Nc1nc2ccccc2s1)=NC(=O)CN1C(=O)C2CCCCC2C1=O |w:12.14| Show InChI InChI=1S/C18H19N5O3S/c19-17(22-18-20-12-7-3-4-8-13(12)27-18)21-14(24)9-23-15(25)10-5-1-2-6-11(10)16(23)26/h3-4,7-8,10-11H,1-2,5-6,9H2,(H3,19,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50389842 (CHEMBL2070723) Show SMILES CC1=C(C(C(C#N)C(SCC(N)=O)=N1)c1ccco1)C(=O)Nc1nc2ccccc2s1 |c:12,t:1| Show InChI InChI=1S/C21H17N5O3S2/c1-11-17(19(28)26-21-25-13-5-2-3-7-15(13)31-21)18(14-6-4-8-29-14)12(9-22)20(24-11)30-10-16(23)27/h2-8,12,18H,10H2,1H3,(H2,23,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50172903 (3,4-diarylpyrazoline derivative | CHEMBL364300) Show SMILES CCN(C)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:9.9,c:14| Show InChI InChI=1S/C20H24ClN5O2S/c1-4-25(3)29(27,28)24-20(22-2)26-14-18(15-8-6-5-7-9-15)19(23-26)16-10-12-17(21)13-11-16/h5-13,18H,4,14H2,1-3H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Noncompetitive inhibition of MRP4-mediated E2-17betaG transport in human MRP4 expressing HEK293 cells by Dixon plot				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50278323 (CHEMBL471245 | sodium trithiocarbonate) Show SMILES [S-]C([S-])=S Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2	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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50278323 (CHEMBL471245 | sodium trithiocarbonate) Show SMILES [S-]C([S-])=S Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase (Methanobacterium thermoautotrophicum)	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of Methanothermobacter thermautotrophicus carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50389824 (CHEMBL2070835) Show SMILES CN(C)Cc1c(O)ccc2nc(C)[nH]c12 Show InChI InChI=1S/C11H15N3O/c1-7-12-9-4-5-10(15)8(6-14(2)3)11(9)13-7/h4-5,15H,6H2,1-3H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human ADRB2 expressed in HEK293T cells after 1 hr by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50389843 (CHEMBL1622248) Show SMILES CN(C)Cc1c(O)ccc2oc(CSc3ccccc3)c(C(C)=O)c12 Show InChI InChI=1S/C20H21NO3S/c1-13(22)19-18(12-25-14-7-5-4-6-8-14)24-17-10-9-16(23)15(20(17)19)11-21(2)3/h4-10,23H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human ADRB2 expressed in HEK293T cells after 1 hr by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50389826 (CHEMBL1620339) Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCO)CC1 Show InChI InChI=1S/C19H32N2O3/c1-15(2)18-5-4-16(3)12-19(18)24-14-17(23)13-21-8-6-20(7-9-21)10-11-22/h4-5,12,15,17,22-23H,6-11,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from human ADRB2 expressed in HEK293T cells after 1 hr by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50278319 (CHEMBL502764 | sodium persulfate) Show SMILES [O-]S(=O)(=O)OOS([O-])(=O)=O Show InChI InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50278320 (CHEMBL2069541 | CHEMBL448089 | sodium selenocyanat...) Show SMILES [N-]=C=[Se] Show InChI InChI=1S/CNSe/c2-1-3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50278320 (CHEMBL2069541 | CHEMBL448089 | sodium selenocyanat...) Show SMILES [N-]=C=[Se] Show InChI InChI=1S/CNSe/c2-1-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50278319 (CHEMBL502764 | sodium persulfate) Show SMILES [O-]S(=O)(=O)OOS([O-])(=O)=O Show InChI InChI=1S/H2O8S2/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50278318 (CHEMBL444819 | sodium perrhenate(VII)) Show SMILES [O-][Re](=O)(=O)=O Show InChI InChI=1S/4O.Re/q;;;-1;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50278322 (CHEMBL450253 | sodium fluorosulfate) Show SMILES [O-]S(F)(=O)=O Show InChI InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50333131 (CHEMBL1075630 | sodium pyrovanadate(V) | tetrasodi...) Show SMILES [O-][V]([O-])(=O)O[V]([O-])([O-])=O Show InChI InChI=1S/7O.2V/q;;;4*-1;;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50333131 (CHEMBL1075630 | sodium pyrovanadate(V) | tetrasodi...) Show SMILES [O-][V]([O-])(=O)O[V]([O-])([O-])=O Show InChI InChI=1S/7O.2V/q;;;4*-1;;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50278312 (CHEMBL445433 | sodium stannate(IV)) Show SMILES [O-][Sn]([O-])=O Show InChI InChI=1S/3O.Sn/q;2*-1;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50278313 (CHEMBL471869 | sodium tellurate(VI)) Show SMILES [O-][Te]([O-])(=O)=O Show InChI InChI=1S/H2O4Te/c1-5(2,3)4/h(H2,1,2,3,4)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50278318 (CHEMBL444819 | sodium perrhenate(VII)) Show SMILES [O-][Re](=O)(=O)=O Show InChI InChI=1S/4O.Re/q;;;-1;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	Article PubMed	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 243-8 (2011) Article DOI: 10.1016/j.bmc.2010.11.031 BindingDB Entry DOI: 10.7270/Q2B858D2
					More data for this Ligand-Target Pair

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