Compile Data Set for Download or QSAR

Found 3044 hits with Last Name = 'bua' and Initial = 's'   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508839 (CHEMBL4579554) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C17H18BrN3O5S/c18-14-9-12(3-6-16(14)22)10-15(21-24)17(23)20-8-7-11-1-4-13(5-2-11)27(19,25)26/h1-6,9,22,24H,7-8,10H2,(H,20,23)(H2,19,25,26)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508875 (CHEMBL4449193) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508846 (CHEMBL4434814) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50517085 (CHEMBL4545711) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504750 (CHEMBL4536202) Show SMILES COC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3cc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H18N6O7S2/c1-40-26(35)24-30-32(17-8-10-19(11-9-17)42(28,38)39)27-29-21-14-16(22-3-2-12-41-22)13-20(23(21)25(34)31(24)27)15-4-6-18(7-5-15)33(36)37/h2-14H,1H3,(H2,28,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50292219 ((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...) Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 |r| Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50517085 (CHEMBL4545711) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508855 (CHEMBL4443809) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50527096 (CHEMBL4558452) Show SMILES CC(=O)C(=C/c1ccccc1Cl)\C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O4S/c1-11(21)15(10-12-4-2-3-5-16(12)18)17(22)20-13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...				J Med Chem 63: 3317-3326 (2020) Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50517085 (CHEMBL4545711) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230195 (CHEMBL4100903) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 Show InChI InChI=1S/C24H27NO4/c1-16(2)14-18-4-6-19(7-5-18)17(3)24(27)25-12-13-28-21-9-10-22-20(15-21)8-11-23(26)29-22/h4-11,15-17H,12-14H2,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50572410 (CHEMBL4869520) Show SMILES CCc1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508880 (CHEMBL4538681) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50527087 (CHEMBL4450169) Show SMILES COc1ccc(\C=C(/C(C)=O)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...				J Med Chem 63: 3317-3326 (2020) Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50540944 (CHEMBL4637053) Show SMILES NCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(cc1)S(N)(=O)=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis				J Med Chem 63: 7422-7444 (2020) Article DOI: 10.1021/acs.jmedchem.0c00733 BindingDB Entry DOI: 10.7270/Q2BV7M64
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50527086 (CHEMBL4458973) Show SMILES CC(=O)C(=C/c1ccc(Cl)cc1)\C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O4S/c1-11(21)16(10-12-2-4-13(18)5-3-12)17(22)20-14-6-8-15(9-7-14)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...				J Med Chem 63: 3317-3326 (2020) Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50517085 (CHEMBL4545711) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50517082 (CHEMBL4466537) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504776 (CHEMBL4441461) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)N\N=C(\CC(=O)c2ccccn2)C(F)(F)F)c1-c1ccccc1 Show InChI InChI=1S/C24H18F3N7O4S/c25-24(26,27)20(14-19(35)18-8-4-5-13-29-18)30-32-23(36)21-22(15-6-2-1-3-7-15)34(33-31-21)16-9-11-17(12-10-16)39(28,37)38/h1-13H,14H2,(H,32,36)(H2,28,37,38)/b30-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540941 (CHEMBL4633228) Show SMILES NS(=O)(=O)c1ccc(CCN(CC#N)C(=O)CN(CCC#N)CCc2ccccc2)cc1 Show InChI InChI=1S/C23H27N5O3S/c24-13-4-15-27(16-11-20-5-2-1-3-6-20)19-23(29)28(18-14-25)17-12-21-7-9-22(10-8-21)32(26,30)31/h1-3,5-10H,4,11-12,15-19H2,(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis				J Med Chem 63: 7422-7444 (2020) Article DOI: 10.1021/acs.jmedchem.0c00733 BindingDB Entry DOI: 10.7270/Q2BV7M64
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508862 (CHEMBL4468565) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O5S2/c19-30(26,27)18-22-21-17(29-18)20-16(25)15(10-12-6-8-14(24)9-7-12)23-28-11-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,26,27)(H,20,21,25)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230205 (CHEMBL4088636) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(17-3-4-19-14-21(29-2)7-5-18(19)13-17)25(28)26-11-12-30-22-8-9-23-20(15-22)6-10-24(27)31-23/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508864 (CHEMBL4537085) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O6S2/c17-29(24,25)16-20-19-15(28-16)18-14(23)12(9-10-4-6-11(22)7-5-10)21-27-13-3-1-2-8-26-13/h4-7,13,22H,1-3,8-9H2,(H2,17,24,25)(H,18,19,23)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50528166 (CHEMBL4519039) Show SMILES NS(=O)(=O)c1ccc(O[P@@](=O)(OCC#C)c2ccccc2)cc1 |r| Show InChI InChI=1S/C15H14NO5PS/c1-2-12-20-22(17,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,18)19/h1,3-11H,12H2,(H2,16,18,19)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 BindingDB Entry DOI: 10.7270/Q2W380S2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50092612 (CHEMBL3586274) Show SMILES NS(=O)(=O)CCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O Show InChI InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230197 (CHEMBL4060402) Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI InChI=1S/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50517088 (CHEMBL4543156) Show SMILES NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230196 (CHEMBL4096350) Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C26H22FNO4/c1-17(19-7-10-22(23(27)16-19)18-5-3-2-4-6-18)26(30)28-13-14-31-21-9-11-24-20(15-21)8-12-25(29)32-24/h2-12,15-17H,13-14H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50572400 (CHEMBL4856565) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50280336 (CHEMBL4165727) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1 Show InChI InChI=1S/C13H12N6O4S/c14-24(22,23)11-3-1-10(2-4-11)19-8-9(16-17-19)7-18-6-5-12(20)15-13(18)21/h1-6,8H,7H2,(H2,14,22,23)(H,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Effect on plasma amine oxidase (0.1 uM) after 60 min of incubation at pH 7.2				ACS Med Chem Lett 8: 1314-1319 (2017) Article DOI: 10.1021/acsmedchemlett.7b00399 BindingDB Entry DOI: 10.7270/Q29P345B
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50508846 (CHEMBL4434814) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50028010 (AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...) Show SMILES OS(=N)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50528166 (CHEMBL4519039) Show SMILES NS(=O)(=O)c1ccc(O[P@@](=O)(OCC#C)c2ccccc2)cc1 |r| Show InChI InChI=1S/C15H14NO5PS/c1-2-12-20-22(17,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,18)19/h1,3-11H,12H2,(H2,16,18,19)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 BindingDB Entry DOI: 10.7270/Q2W380S2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50288310 (CHEMBL4170908) Show SMILES Cl.CC(C)N(CC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)C Show InChI InChI=1S/C24H35N3O5S.ClH/c1-17(2)27(18(3)4)15-21(28)16-32-22-9-7-20(8-10-22)24(29)26-14-13-19-5-11-23(12-6-19)33(25,30)31;/h5-12,17-18,21,28H,13-16H2,1-4H3,(H,26,29)(H2,25,30,31);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50520843 (CHEMBL4585732) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3cccc(F)c3)c3ccc(Br)cc23)cc1 Show InChI InChI=1S/C28H21BrFN5O4S/c29-18-4-13-25-24(15-18)26(27(36)35(25)16-17-2-1-3-19(30)14-17)32-20-5-7-21(8-6-20)33-28(37)34-22-9-11-23(12-10-22)40(31,38)39/h1-15H,16H2,(H2,31,38,39)(H2,33,34,37)/b32-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay				Eur J Med Chem 162: 147-160 (2019) Article DOI: 10.1016/j.ejmech.2018.10.068 BindingDB Entry DOI: 10.7270/Q2FB56BZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50517094 (CHEMBL4465167) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569245 (CHEMBL4860839) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)N\N=C(/CC(=O)c2cccs2)C(F)(F)F)c1-c1ccc(F)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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 10 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113351 BindingDB Entry DOI: 10.7270/Q26H4N6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50288194 (CHEMBL4175397) Show SMILES Cl.NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OCC(O)CN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C22H29N3O6S.ClH/c23-32(28,29)21-7-1-17(2-8-21)9-10-24-22(27)18-3-5-20(6-4-18)31-16-19(26)15-25-11-13-30-14-12-25;/h1-8,19,26H,9-16H2,(H,24,27)(H2,23,28,29);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50288172 (CHEMBL4174691) Show SMILES Cl.CNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H25N3O5S.ClH/c1-21-12-16(23)13-27-17-6-4-15(5-7-17)19(24)22-11-10-14-2-8-18(9-3-14)28(20,25)26;/h2-9,16,21,23H,10-13H2,1H3,(H,22,24)(H2,20,25,26);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50288240 (CHEMBL4159562) Show SMILES Cl.CCCNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H29N3O5S.ClH/c1-2-12-23-14-18(25)15-29-19-7-5-17(6-8-19)21(26)24-13-11-16-3-9-20(10-4-16)30(22,27)28;/h3-10,18,23,25H,2,11-15H2,1H3,(H,24,26)(H2,22,27,28);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50288310 (CHEMBL4170908) Show SMILES Cl.CC(C)N(CC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)C Show InChI InChI=1S/C24H35N3O5S.ClH/c1-17(2)27(18(3)4)15-21(28)16-32-22-9-7-20(8-10-22)24(29)26-14-13-19-5-11-23(12-6-19)33(25,30)31;/h5-12,17-18,21,28H,13-16H2,1-4H3,(H,26,29)(H2,25,30,31);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50528172 (CHEMBL4465406) Show SMILES NS(=O)(=O)c1ccc(OP(=O)(N2CCCC2)c2ccccc2)cc1 Show InChI InChI=1S/C16H19N2O4PS/c17-24(20,21)16-10-8-14(9-11-16)22-23(19,18-12-4-5-13-18)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 BindingDB Entry DOI: 10.7270/Q2W380S2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369931 (CHEMBL4167555) Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50288172 (CHEMBL4174691) Show SMILES Cl.CNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H25N3O5S.ClH/c1-21-12-16(23)13-27-17-6-4-15(5-7-17)19(24)22-11-10-14-2-8-18(9-3-14)28(20,25)26;/h2-9,16,21,23H,10-13H2,1H3,(H,22,24)(H2,20,25,26);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50517092 (CHEMBL4549365) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50517080 (CHEMBL4554889) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
					More data for this Ligand-Target Pair

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