Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'sobolev' and Initial = 'ap'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21125 ((5S,8R,10Z,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.430	-53.5	n/a	n/a	0.830	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21129 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.550	-52.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21126 ((5S,8R,10E,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.570	-52.8	n/a	n/a	0.880	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21129 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.822	-51.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21126 ((5S,8R,10E,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.7	n/a	n/a	2.65	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21125 ((5S,8R,10Z,13R)-13-[(2S)-2-amino-3-(4-hydroxypheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15| Show InChI InChI=1S/C28H33N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-7,10-13,20-23,34H,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.35	-50.6	n/a	n/a	2.35	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.60	-50.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143988 (CHEMBL3759518) Show SMILES CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1 |c:15,t:1| Show InChI InChI=1S/C12H10BrNO5S/c1-8-6-12(14-20(16,17)19-8)18-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) Show SMILES Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1 Show InChI InChI=1S/C15H9Cl2NO4S/c16-9-5-6-10(12(17)7-9)13(19)8-18-15(20)11-3-1-2-4-14(11)23(18,21)22/h1-7H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143989 (CHEMBL3759567) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C12H10N2O7S/c1-8-6-12(16)13(22(19,20)21-8)7-11(15)9-2-4-10(5-3-9)14(17)18/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143991 (CHEMBL3758428) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143993 (CHEMBL3758979) Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143990 (CHEMBL3759876) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143902 (CHEBI:74235 | CHEMBL79350) Show SMILES O=C1NCc2ccccc12 Show InChI InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM16417 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...) Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143986 (CHEMBL3758420) Show SMILES CC1=CC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H10N2O6S/c1-8-6-11(14)12(20(17,18)19-8)7-9-2-4-10(5-3-9)13(15)16/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143980 (CHEMBL3758923) Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143979 (CHEMBL3759331) Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143985 (CHEMBL3758373) Show SMILES CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H10ClNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143977 (CHEMBL3760060) Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143984 (CHEMBL3759099) Show SMILES CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H10FNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143943 (CHEMBL3759375) Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143992 (CHEMBL3760113) Show SMILES CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1 |c:16,t:1| Show InChI InChI=1S/C12H9Cl2NO5S/c1-7-4-12(15-21(17,18)20-7)19-6-11(16)9-3-2-8(13)5-10(9)14/h2-5H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143987 (CHEMBL3760047) Show SMILES COc1cccc(c1)C(=O)CN1C(=O)C=C(C)OS1(=O)=O |t:15| Show InChI InChI=1S/C13H13NO6S/c1-9-6-13(16)14(21(17,18)20-9)8-12(15)10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143982 (CHEMBL3759447) Show SMILES COc1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C16H13NO5S/c1-22-12-6-4-5-11(9-12)14(18)10-17-16(19)13-7-2-3-8-15(13)23(17,20)21/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (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	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21127 ((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21128 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O Show InChI InChI=1S/C30H37N5O7/c1-3-8-23(34-27(38)22(31)16-20-12-14-21(36)15-13-20)28(39)32-18-26(37)33-25(17-19-10-6-5-7-11-19)29(40)35-24(9-4-2)30(41)42/h3-7,10-15,22-25,36H,1-2,8-9,16-18,31H2,(H,32,39)(H,33,37)(H,34,38)(H,35,40)(H,41,42)/t22-,23+,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.10	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143905 (CHEMBL3759443) Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143904 (CHEMBL1489759) Show SMILES Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H13NO3S/c1-11-6-2-3-7-12(11)10-16-15(17)13-8-4-5-9-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143907 (CHEMBL3759629) Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143993 (CHEMBL3758979) Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143907 (CHEMBL3759629) Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2	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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143979 (CHEMBL3759331) Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143980 (CHEMBL3758923) Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143983 (CHEMBL1391313) Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2	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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143906 (CHEMBL3758327) Show SMILES Cc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C15H13NO3S/c1-11-5-4-6-12(9-11)10-16-15(17)13-7-2-3-8-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143991 (CHEMBL3758428) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143990 (CHEMBL3759876) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143981 (CHEMBL3759882) Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10N2O5S/c17-14-12-3-1-2-4-13(12)22(20,21)15(14)9-10-5-7-11(8-6-10)16(18)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397109 (CHEMBL2171847) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26-,27+,28-/m0/s1	PDB NCI pathway 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
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143983 (CHEMBL1391313) Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143978 (CHEMBL3759608) Show SMILES Fc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10FNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21129 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H32N6O6S2/c27-18(10-16-6-8-17(33)9-7-16)24(36)32-21-14-40-39-13-20(23(28)35)31-26(38)19(11-15-4-2-1-3-5-15)30-22(34)12-29-25(21)37/h1-9,18-21,33H,10-14,27H2,(H2,28,35)(H,29,37)(H,30,34)(H,31,38)(H,32,36)/t18-,19-,20+,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44.9	-41.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143977 (CHEMBL3760060) Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2	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	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21127 ((5S,8R,13R)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O Show InChI InChI=1S/C28H35N5O7/c29-20(14-18-10-12-19(34)13-11-18)25(36)32-21-8-4-5-9-22(28(39)40)33-27(38)23(15-17-6-2-1-3-7-17)31-24(35)16-30-26(21)37/h1-3,6-7,10-13,20-23,34H,4-5,8-9,14-16,29H2,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t20-,21+,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56.9	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 3138-3142 (2007) Article DOI: 10.1021/jm061048b BindingDB Entry DOI: 10.7270/Q28G8J0K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair

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