Compile Data Set for Download or QSAR

Found 567 hits with Last Name = 'frédérick' and Initial = 'r'   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT7 receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human MT1 receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50366495 ((+)butaclamol | CHEMBL1255588) Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]methyl-spiperone from human dopamine D2s receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]imipramine from human 5HT transporter				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [125I](+/-)-DOI from human 5HT2B receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50005534 (1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...) Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1 Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]BTCP from human DA transporter				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176062 (3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...) Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NE transporter				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM82561 (CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [3H]BRL43694 from human 5HT3 receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428509 (CHEMBL2331608) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329603 (CHEMBL1270532 | N-(Piperidino-1-ethyl)-1-[4-(amino...) Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-15-18-32-16-5-2-6-17-32)20-28(24-10-9-22-7-3-4-8-23(22)19-24)33(21)25-11-13-26(14-12-25)37(30,35)36/h3-4,7-14,19-20H,2,5-6,15-18H2,1H3,(H,31,34)(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428503 (CHEMBL2336615) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428512 (CHEMBL2336626) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50329599 (CHEMBL1270341 | N-[2-(Dimethylamino)ethyl]-1-[4-(a...) Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H28N4O3S/c1-18-24(26(31)28-14-15-29(2)3)17-25(21-9-8-19-6-4-5-7-20(19)16-21)30(18)22-10-12-23(13-11-22)34(27,32)33/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H2,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329601 (4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...) Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329602 (CHEMBL1270531 | N-[2-(Pyrrolidinyl-1-ethyl)]-1-[4-...) Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50329600 (CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...) Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
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
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428520 (CHEMBL2336632) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1 Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Displacement of [125I]CYP from human 5HT1B receptor				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428518 (CHEMBL2336620) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(Br)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-12-3-1-11(2-4-12)16-9-13(10-21)19-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329600 (CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...) Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of MAO-A				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428512 (CHEMBL2336626) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428501 (CHEMBL2336617) Show SMILES NS(=O)(=O)c1cccc(c1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-7-3-6-18(12-19)23-20(11-17(13-24)22-23)16-9-8-14-4-1-2-5-15(14)10-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428511 (CHEMBL2336627) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-12-17(13-25)23-24(21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428516 (CHEMBL2336622) Show SMILES COc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-15-6-2-12(3-7-15)17-10-13(11-21)19-20(17)14-4-8-16(9-5-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428503 (CHEMBL2336615) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428519 (CHEMBL2336619) Show SMILES Cc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50329606 (CHEMBL1270836 | N-(2-Morpholinoethyl)-1-[4-(aminos...) Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H30N4O4S/c1-20-26(28(33)30-12-13-31-14-16-36-17-15-31)19-27(23-7-6-21-4-2-3-5-22(21)18-23)32(20)24-8-10-25(11-9-24)37(29,34)35/h2-11,18-19H,12-17H2,1H3,(H,30,33)(H2,29,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428521 (CHEMBL2336631) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCO)cc1-c1ccccc1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)16-8-6-15(7-9-16)20-17(12-14(19-20)10-11-21)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (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	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428515 (CHEMBL2336623) Show SMILES COc1cccc(c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-15-4-2-3-12(9-15)17-10-13(11-21)19-20(17)14-5-7-16(8-6-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428509 (CHEMBL2331608) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428517 (CHEMBL2336621) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C17H14N4O3S/c18-10-12-1-3-13(4-2-12)17-9-14(11-22)20-21(17)15-5-7-16(8-6-15)25(19,23)24/h1-9,22H,11H2,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428522 (CHEMBL2336633) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccccc1 Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-16(10-13(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428500 (CHEMBL2336618) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-8-7-14-9-16(6-5-15(14)10-19)21-11-17(13-25)23-24(21)18-3-2-4-20(12-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50329602 (CHEMBL1270531 | N-[2-(Pyrrolidinyl-1-ethyl)]-1-[4-...) Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428510 (CHEMBL2336628) Show SMILES COc1ccc2cc(ccc2c1Br)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18BrN3O4S/c1-29-20-9-3-13-10-14(2-8-18(13)21(20)22)19-11-15(12-26)24-25(19)16-4-6-17(7-5-16)30(23,27)28/h2-11,26H,12H2,1H3,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50289137 (6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...) Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1 Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of liver TDO				Eur J Med Chem 54: 95-102 (2012) Article DOI: 10.1016/j.ejmech.2012.04.033 BindingDB Entry DOI: 10.7270/Q2XS5WFD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428505 (CHEMBL2336613) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(cc1CO)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-17(13-25)12-24(23-21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428502 (CHEMBL2336616) Show SMILES NS(=O)(=O)c1cccc(c1)-n1nc(CO)cc1-c1ccccc1 Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-4-7-14(10-15)19-16(9-13(11-20)18-19)12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428514 (CHEMBL2336624) Show SMILES COc1ccccc1-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-17-5-3-2-4-15(17)16-10-12(11-21)19-20(16)13-6-8-14(9-7-13)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of MAO-B				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428506 (CHEMBL2336612) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)c(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-12-17(13-24)20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428507 (CHEMBL2336630) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-10-13(11-20)16(18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428520 (CHEMBL2336632) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1 Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428513 (CHEMBL2336625) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccc2ccccc12 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)17-10-8-16(9-11-17)23-20(12-15(13-24)22-23)19-7-3-5-14-4-1-2-6-18(14)19/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair

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