Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50046508   

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 9 (Homo sapiens (Human))	BDBM50116436 (CHEMBL3604416) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116389 (CHEMBL3604509) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116443 (CHEMBL3604409) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116441 (CHEMBL3604411) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116440 (CHEMBL3604412) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116442 (CHEMBL3604410) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O6S/c1-3-13-24(14-4-2)31(29,30)19-11-7-17(8-12-19)21(26)23-20(22(27)28)15-16-5-9-18(25)10-6-16/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116437 (CHEMBL3604415) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(O)=O |r| Show InChI InChI=1S/C18H28N2O5S2/c1-4-11-20(12-5-2)27(24,25)15-8-6-14(7-9-15)17(21)19-16(18(22)23)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,21)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116444 (CHEMBL3604408) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H29N3O5S/c1-3-13-27(14-4-2)33(31,32)19-11-9-17(10-12-19)23(28)26-22(24(29)30)15-18-16-25-21-8-6-5-7-20(18)21/h5-12,16,22,25H,3-4,13-15H2,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116390 (CHEMBL3604420) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116388 (CHEMBL3604510) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O5S/c1-3-13-25(14-4-2)31(29,30)19-11-7-17(8-12-19)22(28)24-20(21(23)27)15-16-5-9-18(26)10-6-16/h5-12,20,26H,3-4,13-15H2,1-2H3,(H2,23,27)(H,24,28)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116386 (CHEMBL3604511) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C18H27N3O6S/c1-3-11-21(12-4-2)28(26,27)14-7-5-13(6-8-14)18(25)20-15(17(19)24)9-10-16(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,25)(H,22,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116364 (CHEMBL3604513) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C19H32N6O4S.C2HF3O2/c1-3-12-25(13-4-2)30(28,29)15-9-7-14(8-10-15)18(27)24-16(17(20)26)6-5-11-23-19(21)22;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H2,20,26)(H,24,27)(H4,21,22,23);(H,6,7)/t16-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116365 (CHEMBL3604512) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116389 (CHEMBL3604509) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1	PDB MMDB 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116435 (CHEMBL3604417) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116436 (CHEMBL3604416) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116362 (CHEMBL3604515) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116364 (CHEMBL3604513) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C19H32N6O4S.C2HF3O2/c1-3-12-25(13-4-2)30(28,29)15-9-7-14(8-10-15)18(27)24-16(17(20)26)6-5-11-23-19(21)22;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H2,20,26)(H,24,27)(H4,21,22,23);(H,6,7)/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116388 (CHEMBL3604510) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O5S/c1-3-13-25(14-4-2)31(29,30)19-11-7-17(8-12-19)22(28)24-20(21(23)27)15-16-5-9-18(26)10-6-16/h5-12,20,26H,3-4,13-15H2,1-2H3,(H2,23,27)(H,24,28)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116361 (CHEMBL3604404) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116390 (CHEMBL3604420) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116386 (CHEMBL3604511) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C18H27N3O6S/c1-3-11-21(12-4-2)28(26,27)14-7-5-13(6-8-14)18(25)20-15(17(19)24)9-10-16(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,25)(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116427 (CHEMBL3604419) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116444 (CHEMBL3604408) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H29N3O5S/c1-3-13-27(14-4-2)33(31,32)19-11-9-17(10-12-19)23(28)26-22(24(29)30)15-18-16-25-21-8-6-5-7-20(18)21/h5-12,16,22,25H,3-4,13-15H2,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116359 (CHEMBL3604406) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C19H30N2O5S/c1-5-11-21(12-6-2)27(25,26)16-9-7-15(8-10-16)18(22)20-17(19(23)24)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,22)(H,23,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116439 (CHEMBL3604413) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C19H31N5O5S.C2HF3O2/c1-3-12-24(13-4-2)30(28,29)15-9-7-14(8-10-15)17(25)23-16(18(26)27)6-5-11-22-19(20)21;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22);(H,6,7)/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116365 (CHEMBL3604512) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116360 (CHEMBL3604405) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C16H24N2O5S/c1-4-10-18(11-5-2)24(22,23)14-8-6-13(7-9-14)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116443 (CHEMBL3604409) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116363 (CHEMBL3604514) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C16H25N3O4S2/c1-3-9-19(10-4-2)25(22,23)13-7-5-12(6-8-13)16(21)18-14(11-24)15(17)20/h5-8,14,24H,3-4,9-11H2,1-2H3,(H2,17,20)(H,18,21)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116441 (CHEMBL3604411) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116442 (CHEMBL3604410) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O6S/c1-3-13-24(14-4-2)31(29,30)19-11-7-17(8-12-19)21(26)23-20(22(27)28)15-16-5-9-18(25)10-6-16/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116440 (CHEMBL3604412) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116362 (CHEMBL3604515) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116427 (CHEMBL3604419) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116438 (CHEMBL3604414) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C16H24N2O5S2/c1-3-9-18(10-4-2)25(22,23)13-7-5-12(6-8-13)15(19)17-14(11-24)16(20)21/h5-8,14,24H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116349 (CHEMBL3604407) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H28N2O5S/c1-3-14-24(15-4-2)30(28,29)19-12-10-18(11-13-19)21(25)23-20(22(26)27)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H,23,25)(H,26,27)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116437 (CHEMBL3604415) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(O)=O |r| Show InChI InChI=1S/C18H28N2O5S2/c1-4-11-20(12-5-2)27(24,25)15-8-6-14(7-9-15)17(21)19-16(18(22)23)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,21)(H,22,23)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116389 (CHEMBL3604509) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116363 (CHEMBL3604514) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C16H25N3O4S2/c1-3-9-19(10-4-2)25(22,23)13-7-5-12(6-8-13)16(21)18-14(11-24)15(17)20/h5-8,14,24H,3-4,9-11H2,1-2H3,(H2,17,20)(H,18,21)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50116441 (CHEMBL3604411) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116434 (CHEMBL3604418) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-5-11-22(12-6-2)27(25,26)16-9-7-15(8-10-16)19(24)21-17(18(20)23)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H2,20,23)(H,21,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116435 (CHEMBL3604417) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116440 (CHEMBL3604412) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116439 (CHEMBL3604413) Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C19H31N5O5S.C2HF3O2/c1-3-12-24(13-4-2)30(28,29)15-9-7-14(8-10-15)17(25)23-16(18(26)27)6-5-11-22-19(20)21;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22);(H,6,7)/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116443 (CHEMBL3604409) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116361 (CHEMBL3604404) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
					More data for this Ligand-Target Pair

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