Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50007972   

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 12 (Homo sapiens (Human))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514574 (CHEMBL4473283) Show SMILES COc1cccc(c1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514562 (CHEMBL4564432) Show SMILES O=C1N(Cc2cc(no2)-c2cccs2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514564 (CHEMBL4579267) Show SMILES O=C1N(Cc2cc(no2)-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514561 (CHEMBL4439121) Show SMILES COc1cccc(c1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514566 (CHEMBL4515899) Show SMILES COc1ccc(cc1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514563 (CHEMBL4442253) Show SMILES O=C1N(Cc2cc(no2)-c2cccnc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C16H11N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM49297 (1,1-diketo-2-[[3-(4-methoxyphenyl)-2-isoxazolin-5-...) Show SMILES COc1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514562 (CHEMBL4564432) Show SMILES O=C1N(Cc2cc(no2)-c2cccs2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514575 (CHEMBL4470396) Show SMILES O=C1N(C[C@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514568 (CHEMBL4459292) Show SMILES O=C1N(CC2CC(=NO2)c2cccnc2)S(=O)(=O)c2ccccc12 |c:6| Show InChI InChI=1S/C16H13N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-7,9,12H,8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514567 (CHEMBL4521065) Show SMILES COc1ccccc1-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-16-8-4-2-6-13(16)15-10-12(25-19-15)11-20-18(21)14-7-3-5-9-17(14)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514573 (CHEMBL1342757) Show SMILES COc1ccccc1C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-16-8-4-2-6-13(16)15-10-12(25-19-15)11-20-18(21)14-7-3-5-9-17(14)26(20,22)23/h2-9,12H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514569 (CHEMBL4560568) Show SMILES O=C1N(CC2CC(=NO2)c2ccccn2)S(=O)(=O)c2ccccc12 |c:6| Show InChI InChI=1S/C16H13N3O4S/c20-16-12-5-1-2-7-15(12)24(21,22)19(16)10-11-9-14(18-23-11)13-6-3-4-8-17-13/h1-8,11H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514566 (CHEMBL4515899) Show SMILES COc1ccc(cc1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514575 (CHEMBL4470396) Show SMILES O=C1N(C[C@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514565 (CHEMBL4525961) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2ccccc2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C17H14N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514560 (CHEMBL4569934) Show SMILES O=C1N(C[C@H]2CC(=NO2)c2ccccc2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C17H14N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514565 (CHEMBL4525961) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2ccccc2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C17H14N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514560 (CHEMBL4569934) Show SMILES O=C1N(C[C@H]2CC(=NO2)c2ccccc2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C17H14N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514564 (CHEMBL4579267) Show SMILES O=C1N(Cc2cc(no2)-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514570 (CHEMBL4483693) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C17H11N3O6S/c21-17-14-6-1-2-7-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-4-3-5-12(8-11)20(22)23/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514559 (CHEMBL4524590) Show SMILES O=C1N(Cc2cc(no2)-c2ccccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C16H11N3O4S/c20-16-12-5-1-2-7-15(12)24(21,22)19(16)10-11-9-14(18-23-11)13-6-3-4-8-17-13/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514572 (CHEMBL4551592) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:10| Show InChI InChI=1S/C17H13N3O6S/c21-17-14-3-1-2-4-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-5-7-12(8-6-11)20(22)23/h1-8,13H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514571 (CHEMBL4471197) Show SMILES [O-][N+](=O)c1cccc(c1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:10| Show InChI InChI=1S/C17H13N3O6S/c21-17-14-6-1-2-7-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-4-3-5-12(8-11)20(22)23/h1-8,13H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514563 (CHEMBL4442253) Show SMILES O=C1N(Cc2cc(no2)-c2cccnc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C16H11N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514571 (CHEMBL4471197) Show SMILES [O-][N+](=O)c1cccc(c1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:10| Show InChI InChI=1S/C17H13N3O6S/c21-17-14-6-1-2-7-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-4-3-5-12(8-11)20(22)23/h1-8,13H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM49297 (1,1-diketo-2-[[3-(4-methoxyphenyl)-2-isoxazolin-5-...) Show SMILES COc1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514570 (CHEMBL4483693) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C17H11N3O6S/c21-17-14-6-1-2-7-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-4-3-5-12(8-11)20(22)23/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514572 (CHEMBL4551592) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:10| Show InChI InChI=1S/C17H13N3O6S/c21-17-14-3-1-2-4-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-5-7-12(8-6-11)20(22)23/h1-8,13H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50496461 (CHEMBL3125553) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C17H11N3O6S/c21-17-14-3-1-2-4-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-5-7-12(8-6-11)20(22)23/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514559 (CHEMBL4524590) Show SMILES O=C1N(Cc2cc(no2)-c2ccccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C16H11N3O4S/c20-16-12-5-1-2-7-15(12)24(21,22)19(16)10-11-9-14(18-23-11)13-6-3-4-8-17-13/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514574 (CHEMBL4473283) Show SMILES COc1cccc(c1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514569 (CHEMBL4560568) Show SMILES O=C1N(CC2CC(=NO2)c2ccccn2)S(=O)(=O)c2ccccc12 |c:6| Show InChI InChI=1S/C16H13N3O4S/c20-16-12-5-1-2-7-15(12)24(21,22)19(16)10-11-9-14(18-23-11)13-6-3-4-8-17-13/h1-8,11H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514568 (CHEMBL4459292) Show SMILES O=C1N(CC2CC(=NO2)c2cccnc2)S(=O)(=O)c2ccccc12 |c:6| Show InChI InChI=1S/C16H13N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-7,9,12H,8,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	274	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50496461 (CHEMBL3125553) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C17H11N3O6S/c21-17-14-3-1-2-4-16(14)27(24,25)19(17)10-13-9-15(18-26-13)11-5-7-12(8-6-11)20(22)23/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50514575 (CHEMBL4470396) Show SMILES O=C1N(C[C@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50514561 (CHEMBL4439121) Show SMILES COc1cccc(c1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50514562 (CHEMBL4564432) Show SMILES O=C1N(Cc2cc(no2)-c2cccs2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50514563 (CHEMBL4442253) Show SMILES O=C1N(Cc2cc(no2)-c2cccnc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C16H11N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50514564 (CHEMBL4579267) Show SMILES O=C1N(Cc2cc(no2)-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514561 (CHEMBL4439121) Show SMILES COc1cccc(c1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514567 (CHEMBL4521065) Show SMILES COc1ccccc1-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-16-8-4-2-6-13(16)15-10-12(25-19-15)11-20-18(21)14-7-3-5-9-17(14)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair

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