Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'lammi' 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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299702 (2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299697 (2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299703 (2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299701 (CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205729 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205722 ((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205710 ((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299700 ((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H22N6O6/c1-22-20(30)17-15(28)16(29)21(33-17)27-10-23-14-18(26-32-3)24-13(25-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,22,30)(H,24,25,26)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299698 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...) Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O4/c1-20-17-14-18(23-13(22-17)8-7-11-5-3-2-4-6-11)24(10-21-14)19-16(27)15(26)12(9-25)28-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,20,22,23)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50299699 ((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...) Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H19N5O5/c1-28-23-17-14-18(22-13(21-17)8-7-11-5-3-2-4-6-11)24(10-20-14)19-16(27)15(26)12(9-25)29-19/h2-6,10,12,15-16,19,25-27H,9H2,1H3,(H,21,22,23)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 7897-900 (2009) Article DOI: 10.1021/jm900754g BindingDB Entry DOI: 10.7270/Q2R211G6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50591297 (CHEMBL5171860) Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50591297 (CHEMBL5171860) Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50591309 (CHEMBL5193531) Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50591308 (CHEMBL5177166) Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591308 (CHEMBL5177166) Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (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 PDB Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50591297 (CHEMBL5171860) Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50591306 (CHEMBL5206696) Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50591297 (CHEMBL5171860) Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591297 (CHEMBL5171860) Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50591307 (CHEMBL5198237) Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50591308 (CHEMBL5177166) Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...) Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50591306 (CHEMBL5206696) Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50591308 (CHEMBL5177166) Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591307 (CHEMBL5198237) Show SMILES COc1cc(cc(OC)c1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466608 (CHEMBL4285772) Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591305 (CHEMBL5191973) Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466614 (CHEMBL4291079) Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466613 (CHEMBL4287656) Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591310 (CHEMBL5205289) Show SMILES COc1cc(cc(OC)c1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50591308 (CHEMBL5177166) Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (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	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50591308 (CHEMBL5177166) Show SMILES NC(CCOc1ccc(cc1)S(N)(=O)=O)C1COc2ccccc2O1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50591297 (CHEMBL5171860) Show SMILES Cl.NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466606 (CHEMBL4280452) Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C26H38NO3/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5/h11-16,19-21H,6-10,17-18H2,1-5H3/q+1/b12-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	305	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50591305 (CHEMBL5191973) Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50591306 (CHEMBL5206696) Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591306 (CHEMBL5206696) Show SMILES COc1cc(ccc1OCCC(N=[N+]=[N-])C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50591309 (CHEMBL5193531) Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50591309 (CHEMBL5193531) Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	456	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466607 (CHEMBL4293646) Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50591309 (CHEMBL5193531) Show SMILES COc1cc(ccc1OCCC(N)C1COc2ccccc2O1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	478	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466603 (CHEMBL4277852) Show SMILES [I-].C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C38H38OP/c1(15-31-39-35-29-27-34(28-30-35)26-25-33-17-7-3-8-18-33)2-16-32-40(36-19-9-4-10-20-36,37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-30H,1-2,15-16,31-32H2/q+1/b26-25+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	559	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466615 (CHEMBL4291927) Show SMILES [I-].C(CCCOc1ccc(\C=C\c2ccccc2)cc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H40OP/c1(2-16-32-40-36-30-28-35(29-31-36)27-26-34-18-8-4-9-19-34)3-17-33-41(37-20-10-5-11-21-37,38-22-12-6-13-23-38)39-24-14-7-15-25-39/h4-15,18-31H,1-3,16-17,32-33H2/q+1/b27-26+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50591305 (CHEMBL5191973) Show SMILES NS(=O)(=O)c1ccc(OCCC(N=[N+]=[N-])C2COc3ccccc3O2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01192 BindingDB Entry DOI: 10.7270/Q2PG1WQ6
					More data for this Ligand-Target Pair

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