Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'congiu' 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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194242 (CHEMBL378082 | H-Dmt-Tic-NH-CH[(CH2)4-NH-Ac]-Bid) Show SMILES CC(=O)NCCCCC(NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)40-31(14-8-9-15-37-23(3)42)33-38-29-12-6-7-13-30(29)39-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,42)(H,38,39)(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194244 (CHEMBL212172 | H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bi...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194237 (CHEMBL377960 | H-Dmt-Tic-NH-CH[(CH2)4-NH2]-Bid) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCN)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-26(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)38-29(13-7-8-14-34)31-36-27-11-5-6-12-28(27)37-31/h3-6,9-12,15-16,26,29-30,40H,7-8,13-14,17-19,34-35H2,1-2H3,(H,36,37)(H,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194242 (CHEMBL378082 | H-Dmt-Tic-NH-CH[(CH2)4-NH-Ac]-Bid) Show SMILES CC(=O)NCCCCC(NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)40-31(14-8-9-15-37-23(3)42)33-38-29-12-6-7-13-30(29)39-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,42)(H,38,39)(H,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207188 ((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...) Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207195 ((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...) Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207196 ((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...) Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50194238 (CHEMBL386309 | H-Dmt-Tic-NH-CH[(CH2)4-NH-Z]-Bid) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194244 (CHEMBL212172 | H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bi...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207190 (CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194237 (CHEMBL377960 | H-Dmt-Tic-NH-CH[(CH2)4-NH2]-Bid) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCN)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-26(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)38-29(13-7-8-14-34)31-36-27-11-5-6-12-28(27)37-31/h3-6,9-12,15-16,26,29-30,40H,7-8,13-14,17-19,34-35H2,1-2H3,(H,36,37)(H,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207194 (CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207192 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194238 (CHEMBL386309 | H-Dmt-Tic-NH-CH[(CH2)4-NH-Z]-Bid) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116585 (CHEMBL3609478) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207189 (CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207193 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1 Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50109271 (CHEMBL3601534) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O4S/c1-14-3-2-4-16(13-14)21-9-11-22(12-10-21)18(23)20-15-5-7-17(8-6-15)26-27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207195 ((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...) Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207192 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109147 (CHEMBL3601531) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109270 (CHEMBL3601535) Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1C Show InChI InChI=1S/C19H24N4O4S/c1-14-4-3-5-18(15(14)2)22-10-12-23(13-11-22)19(24)21-16-6-8-17(9-7-16)27-28(20,25)26/h3-9H,10-13H2,1-2H3,(H,21,24)(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109148 (CHEMBL3601530) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H22N4O4S/c19-27(24,25)26-17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109157 (CHEMBL3601538) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109156 (CHEMBL3601539) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109154 (CHEMBL3601540) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50109154 (CHEMBL3601540) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207191 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109268 (CHEMBL3601537) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50109156 (CHEMBL3601539) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50109157 (CHEMBL3601538) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50194245 (2-(2-(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)prop...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NCC(O)=O Show InChI InChI=1S/C23H27N3O5/c1-13-7-17(27)8-14(2)18(13)10-19(24)23(31)26-12-16-6-4-3-5-15(16)9-20(26)22(30)25-11-21(28)29/h3-8,19-20,27H,9-12,24H2,1-2H3,(H,25,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 49: 5610-7 (2006) Article DOI: 10.1021/jm060741w BindingDB Entry DOI: 10.7270/Q2416XTD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116582 (CHEMBL3609476) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-16-4-2-3-15(13-16)21-9-11-22(12-10-21)18(23)20-14-5-7-17(8-6-14)27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116581 (CHEMBL3609475) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207193 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1 Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116578 (CHEMBL3609199) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207196 ((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...) Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50207191 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207190 (CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207189 (CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207194 (CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50207188 ((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...) Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 15: 3143-51 (2007) Article DOI: 10.1016/j.bmc.2007.02.039 BindingDB Entry DOI: 10.7270/Q2ST7PHP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116586 (CHEMBL3609479) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)29(21,27)28/h1-7H,8-11H2,(H,23,26)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116580 (CHEMBL3609201) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					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	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116589 (CHEMBL3609482) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50109151 (CHEMBL3601543) Show SMILES Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
					More data for this Ligand-Target Pair

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