Compile Data Set for Download or QSAR

Found 3509 hits with Last Name = 'ghelardini' 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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6505-10 (2007) Article DOI: 10.1016/j.bmcl.2007.09.089 BindingDB Entry DOI: 10.7270/Q2S75H5H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity of compound was determined against Opioid receptor delta 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027063 (CHEMBL2111838) Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50505384 (CHEMBL4457393) Show SMILES COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay				J Med Chem 62: 8511-8531 (2019) Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027063 (CHEMBL2111838) Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6505-10 (2007) Article DOI: 10.1016/j.bmcl.2007.09.089 BindingDB Entry DOI: 10.7270/Q2S75H5H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50513286 (CHEMBL4470319) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 177: 188-197 (2019) Article DOI: 10.1016/j.ejmech.2019.05.058 BindingDB Entry DOI: 10.7270/Q2T156ZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50341392 (CHEMBL4171524) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor delta 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50341395 (CHEMBL4175369) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]C#C)cc1 Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131967 (CHEMBL123898 | N-[2-(5-Phenyl-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7| Show InChI InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131967 (CHEMBL123898 | N-[2-(5-Phenyl-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7| Show InChI InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50341389 (CHEMBL4164747) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]=[#6])cc1 Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50341393 (CHEMBL4165154) Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131972 (4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131972 (4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50341388 (CHEMBL4159208) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50341394 (CHEMBL4171921) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C11H17NO2SSe/c1-2-3-4-9-16-11-7-5-10(6-8-11)15(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515558 (CHEMBL4535036) Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230195 (CHEMBL4100903) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 Show InChI InChI=1S/C24H27NO4/c1-16(2)14-18-4-6-19(7-5-18)17(3)24(27)25-12-13-28-21-9-10-22-20(15-21)8-11-23(26)29-22/h4-11,15-17H,12-14H2,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515303 (CHEMBL4435346) Show SMILES NS(=O)(=O)c1ccc(OCCCCN(CC#C)CC#C)cc1 Show InChI InChI=1S/C16H20N2O3S/c1-3-11-18(12-4-2)13-5-6-14-21-15-7-9-16(10-8-15)22(17,19)20/h1-2,7-10H,5-6,11-14H2,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 62: 7233-7249 (2019) Article DOI: 10.1021/acs.jmedchem.9b00845 BindingDB Entry DOI: 10.7270/Q2D79FRD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50432382 (CHEMBL2348441) Show SMILES [O-][n+]1nc2c(I)cnn2c2cc(NCc3cccnc3)ccc12 Show InChI InChI=1S/C15H11IN6O/c16-12-9-19-21-14-6-11(18-8-10-2-1-5-17-7-10)3-4-13(14)22(23)20-15(12)21/h1-7,9,18H,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sintesi e Studio di Eterocicli Biologicamente attivi (HeteroBioLab) Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant GABA-A alpha1beta2gamma2 receptor benzodiazepine binding site (unknown origin) after 1 hr				Bioorg Med Chem 21: 2186-98 (2013) Article DOI: 10.1016/j.bmc.2013.02.027 BindingDB Entry DOI: 10.7270/Q2KD208C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131969 (CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7| Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131969 (CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7| Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131973 (CHEMBL338391 | N-[2-(1-Methyl-5-phenyl-2,3-dihydro...) Show SMILES CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19| Show InChI InChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131973 (CHEMBL338391 | N-[2-(1-Methyl-5-phenyl-2,3-dihydro...) Show SMILES CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19| Show InChI InChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049806 (CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049806 (CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131970 (2-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccccc1C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131970 (2-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccccc1C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50408526 (CHEMBL4163381) Show SMILES [#6]-[#6](=O)-[#8]-c1ccccc1-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C22H20N2O5SSe/c1-15(25)29-21-5-3-2-4-20(21)22(26)24-17-8-12-19(13-9-17)31-14-16-6-10-18(11-7-16)30(23,27)28/h2-13H,14H2,1H3,(H,24,26)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 154: 210-219 (2018) Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049808 (CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469139 (CHEMBL4292479) Show SMILES [#6]-[#8]-c1ccc([Se;v2][#6]-c2cnc([se;v2]2)-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C17H16N2O3SSe2/c1-22-13-4-8-15(9-5-13)24-11-16-10-19-17(25-16)12-2-6-14(7-3-12)23(18,20)21/h2-10H,11H2,1H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515559 (CHEMBL4435078) Show SMILES [#6]-c1ccc([Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C16H19NO4STe/c1-12-2-8-16(9-3-12)23-11-13(18)10-21-14-4-6-15(7-5-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50505386 (CHEMBL4442908) Show SMILES NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N7O2/c21-11-10-17(28)23-14-8-6-13(7-9-14)16-12-26-19(18(22)24-16)25-27(20(26)29)15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H2,22,24)(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay				J Med Chem 62: 8511-8531 (2019) Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515564 (CHEMBL4535469) Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515563 (CHEMBL4436769) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C16H19NO4STe/c1-12-4-2-3-5-16(12)23-11-13(18)10-21-14-6-8-15(9-7-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027062 (CHEMBL2111837) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |r,t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair

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