Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'gil' and Initial = 'mj'   

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 (Homo sapiens (Human))	BDBM50120056 (15-Amino-1-methyl-10-thia-tricyclo[7.5.1.0*2,7*]pe...) Show SMILES C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc13)C2N Show InChI InChI=1S/C15H21NOS/c1-15-6-2-3-7-18-13(14(15)16)8-10-4-5-11(17)9-12(10)15/h4-5,9,13-14,17H,2-3,6-8,16H2,1H3/t13-,14?,15+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120057 (7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetr...) Show SMILES CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120058 (7-Amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-...) Show SMILES CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173870 (3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...) Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1 Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173865 (3-Butoxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo...) Show SMILES CCCCOC1CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C12H17NO5S2/c1-2-3-6-18-11-8-19(14,15)12-7-9(20(13,16)17)4-5-10(11)12/h4-5,7,11H,2-3,6,8H2,1H3,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173865 (3-Butoxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo...) Show SMILES CCCCOC1CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C12H17NO5S2/c1-2-3-6-18-11-8-19(14,15)12-7-9(20(13,16)17)4-5-10(11)12/h4-5,7,11H,2-3,6,8H2,1H3,(H2,13,16,17)	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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173871 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...) Show SMILES NS(=O)(=O)c1ccc2c(C=CS2(=O)=O)c1 |c:9| Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-1-2-8-6(5-7)3-4-14(8,10)11/h1-5H,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173862 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...) Show SMILES NS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1 |c:8| Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173870 (3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...) Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1 Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173867 (3-Methyl-1,1-dioxo-1H-1lambda*6*-benzo[b]thiophene...) Show SMILES CC1=CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O |t:1| Show InChI InChI=1S/C9H9NO4S2/c1-6-5-15(11,12)9-4-7(16(10,13)14)2-3-8(6)9/h2-5H,1H3,(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173864 (1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...) Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1 Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173864 (1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...) Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1 Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173871 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...) Show SMILES NS(=O)(=O)c1ccc2c(C=CS2(=O)=O)c1 |c:9| Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-1-2-8-6(5-7)3-4-14(8,10)11/h1-5H,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173867 (3-Methyl-1,1-dioxo-1H-1lambda*6*-benzo[b]thiophene...) Show SMILES CC1=CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O |t:1| Show InChI InChI=1S/C9H9NO4S2/c1-6-5-15(11,12)9-4-7(16(10,13)14)2-3-8(6)9/h2-5H,1H3,(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173862 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...) Show SMILES NS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1 |c:8| Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120053 (7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C14H21NO/c1-4-9-7-10-5-6-11(16)8-12(10)14(2,3)13(9)15/h5-6,8-9,13,16H,4,7,15H2,1-3H3/t9-,13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	DrugBank MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50120056 (15-Amino-1-methyl-10-thia-tricyclo[7.5.1.0*2,7*]pe...) Show SMILES C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc13)C2N Show InChI InChI=1S/C15H21NOS/c1-15-6-2-3-7-18-13(14(15)16)8-10-4-5-11(17)9-12(10)15/h4-5,9,13-14,17H,2-3,6-8,16H2,1H3/t13-,14?,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor kappa 1 was determined.				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor kappa 1 was determined.				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50173862 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...) Show SMILES NS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1 |c:8| Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50120057 (7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetr...) Show SMILES CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor kappa 1 was determined.				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50173864 (1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...) Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1 Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50173871 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-5-sulfon...) Show SMILES NS(=O)(=O)c1ccc2c(C=CS2(=O)=O)c1 |c:9| Show InChI InChI=1S/C8H7NO4S2/c9-15(12,13)7-1-2-8-6(5-7)3-4-14(8,10)11/h1-5H,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173869 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...) Show SMILES O=S(=O)(NCC1CC1)c1ccc2C=CS(=O)(=O)c2c1 |c:13| Show InChI InChI=1S/C12H13NO4S2/c14-18(15)6-5-10-3-4-11(7-12(10)18)19(16,17)13-8-9-1-2-9/h3-7,9,13H,1-2,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50173867 (3-Methyl-1,1-dioxo-1H-1lambda*6*-benzo[b]thiophene...) Show SMILES CC1=CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O |t:1| Show InChI InChI=1S/C9H9NO4S2/c1-6-5-15(11,12)9-4-7(16(10,13)14)2-3-8(6)9/h2-5H,1H3,(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50173865 (3-Butoxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo...) Show SMILES CCCCOC1CS(=O)(=O)c2cc(ccc12)S(N)(=O)=O Show InChI InChI=1S/C12H17NO5S2/c1-2-3-6-18-11-8-19(14,15)12-7-9(20(13,16)17)4-5-10(11)12/h4-5,7,11H,2-3,6,8H2,1H3,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor delta 1 was determined				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120061 (7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C14H21NO/c1-4-9-7-10-5-6-11(16)8-12(10)14(2,3)13(9)15/h5-6,8-9,13,16H,4,7,15H2,1-3H3/t9-,13+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50173870 (3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...) Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1 Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120062 (7-Amino-6-mercapto-8,8-dimethyl-5,6,7,8-tetrahydro...) Show SMILES CC1(C)[C@H](N)[C@H](S)Cc2ccc(O)cc12 Show InChI InChI=1S/C12H17NOS/c1-12(2)9-6-8(14)4-3-7(9)5-10(15)11(12)13/h3-4,6,10-11,14-15H,5,13H2,1-2H3/t10-,11-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50120058 (7-Amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-...) Show SMILES CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor kappa 1 was determined.				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120054 (3-Amino-4,4-dimethyl-1,2,3,4-tetrahydro-naphthalen...) Show SMILES CC1(C)[C@H](N)[C@H](O)Cc2ccc(O)cc12 Show InChI InChI=1S/C12H17NO2/c1-12(2)9-6-8(14)4-3-7(9)5-10(15)11(12)13/h3-4,6,10-11,14-15H,5,13H2,1-2H3/t10-,11-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50120059 (7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetr...) Show SMILES CS[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50120053 (7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C14H21NO/c1-4-9-7-10-5-6-11(16)8-12(10)14(2,3)13(9)15/h5-6,8-9,13,16H,4,7,15H2,1-3H3/t9-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor kappa 1 was determined.				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50120057 (7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetr...) Show SMILES CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N Show InChI InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	349	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor delta 1 was determined				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50173868 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...) Show SMILES CCNS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1 |c:10| Show InChI InChI=1S/C10H11NO4S2/c1-2-11-17(14,15)9-4-3-8-5-6-16(12,13)10(8)7-9/h3-7,11H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	362	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50120056 (15-Amino-1-methyl-10-thia-tricyclo[7.5.1.0*2,7*]pe...) Show SMILES C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc13)C2N Show InChI InChI=1S/C15H21NOS/c1-15-6-2-3-7-18-13(14(15)16)8-10-4-5-11(17)9-12(10)15/h4-5,9,13-14,17H,2-3,6-8,16H2,1H3/t13-,14?,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire Biochem Curated by ChEMBL					Assay Description Binding affinity of the compound for Opioid receptor delta 1 was determined				Bioorg Med Chem Lett 12: 3141-3 (2002) BindingDB Entry DOI: 10.7270/Q21N80GS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50173868 (1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfon...) Show SMILES CCNS(=O)(=O)c1ccc2C=CS(=O)(=O)c2c1 |c:10| Show InChI InChI=1S/C10H11NO4S2/c1-2-11-17(14,15)9-4-3-8-5-6-16(12,13)10(8)7-9/h3-7,11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
					More data for this Ligand-Target Pair

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