Compile Data Set for Download or QSAR

Found 1439 hits with Last Name = 'nalli' and Initial = 'm'   

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))	BDBM50540581 (CHEMBL4648640) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-10-8-17(9-11-19)16-6-4-14(5-7-16)12-15-2-1-3-18(13-15)20(22)23/h1-11,13H,12H2,(H,22,23)(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540579 (CHEMBL4636586) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)18-11-9-16(10-12-18)15-7-5-14(6-8-15)13-17-3-1-2-4-19(17)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.690	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540577 (CHEMBL4635511) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1OC(=O)c2ccccc12 Show InChI InChI=1S/C20H15NO4S/c21-26(23,24)16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-17-3-1-2-4-18(17)20(22)25-19/h1-12,19H,(H2,21,23,24)	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540576 (CHEMBL4633482) Show SMILES Nc1cccc(c1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H18N2O3S/c20-17-3-1-2-16(12-17)19(22)15-6-4-13(5-7-15)14-8-10-18(11-9-14)25(21,23)24/h1-12,19,22H,20H2,(H2,21,23,24)	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540578 (CHEMBL4636187) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)16-11-9-14(10-12-16)13-5-7-15(8-6-13)19(22)17-3-1-2-4-18(17)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.830	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540582 (CHEMBL4639123) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H17NO5S/c21-27(25,26)18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(22)16-2-1-3-17(12-16)20(23)24/h1-12,19,22H,(H,23,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.830	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540574 (CHEMBL4636115) Show SMILES Nc1cccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C19H18N2O2S/c20-18-3-1-2-15(13-18)12-14-4-6-16(7-5-14)17-8-10-19(11-9-17)24(21,22)23/h1-11,13H,12,20H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.920	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540580 (CHEMBL4642918) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(22)16-2-1-3-17(12-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.940	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540575 (CHEMBL4647509) Show SMILES Nc1ccccc1C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H18N2O3S/c20-18-4-2-1-3-17(18)19(22)15-7-5-13(6-8-15)14-9-11-16(12-10-14)25(21,23)24/h1-12,19,22H,20H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.970	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133402 (CHEMBL3632838) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133406 (CHEMBL3632842) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H16N2O5S/c20-27(25,26)18-11-7-14(8-12-18)13-1-3-15(4-2-13)19(22)16-5-9-17(10-6-16)21(23)24/h1-12,19,22H,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540574 (CHEMBL4636115) Show SMILES Nc1cccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C19H18N2O2S/c20-18-3-1-2-15(13-18)12-14-4-6-16(7-5-14)17-8-10-19(11-9-17)24(21,22)23/h1-11,13H,12,20H2,(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	5.90	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133409 (CHEMBL3632845) Show SMILES Nc1ccc(Cc2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H18N2O2S/c20-18-9-3-15(4-10-18)13-14-1-5-16(6-2-14)17-7-11-19(12-8-17)24(21,22)23/h1-12H,13,20H2,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133400 (CHEMBL3632836) Show SMILES COC(=O)c1ccc(cc1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13,20,23H,1H3,(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133400 (CHEMBL3632836) Show SMILES COC(=O)c1ccc(cc1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13,20,23H,1H3,(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	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 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540579 (CHEMBL4636586) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccccc2C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)18-11-9-16(10-12-18)15-7-5-14(6-8-15)13-17-3-1-2-4-19(17)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133404 (CHEMBL3632840) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540582 (CHEMBL4639123) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H17NO5S/c21-27(25,26)18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(22)16-2-1-3-17(12-16)20(23)24/h1-12,19,22H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540580 (CHEMBL4642918) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(22)16-2-1-3-17(12-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	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 1 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540575 (CHEMBL4647509) Show SMILES Nc1ccccc1C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H18N2O3S/c20-18-4-2-1-3-17(18)19(22)15-7-5-13(6-8-15)14-9-11-16(12-10-14)25(21,23)24/h1-12,19,22H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	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 1 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133402 (CHEMBL3632838) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133406 (CHEMBL3632842) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H16N2O5S/c20-27(25,26)18-11-7-14(8-12-18)13-1-3-15(4-2-13)19(22)16-5-9-17(10-6-16)21(23)24/h1-12,19,22H,(H2,20,25,26)	PDB MMDB NCI pathway 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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133408 (CHEMBL3632844) Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	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 9 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540573 (CHEMBL4634323) Show SMILES Nc1cccc(c1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-3-1-2-16(12-17)19(22)15-6-4-13(5-7-15)14-8-10-18(11-9-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540581 (CHEMBL4648640) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-10-8-17(9-11-19)16-6-4-14(5-7-16)12-15-2-1-3-18(13-15)20(22)23/h1-11,13H,12H2,(H,22,23)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556159 (CHEMBL4784247) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type HIV-1 p66/p51 reverse transcriptase/nucleic acid/dTTP ternary complex using poly(rA)/oligo(dT) as templates in presence...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133404 (CHEMBL3632840) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540572 (CHEMBL4641222) Show SMILES Nc1ccccc1C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-18-4-2-1-3-17(18)19(22)15-7-5-13(6-8-15)14-9-11-16(12-10-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556159 (CHEMBL4784247) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to free form of wild type HIV-1 p66/p51 reverse transcriptase using poly(rA)/oligo(dT) as templates in presence of [3H]dTTP				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540576 (CHEMBL4633482) Show SMILES Nc1cccc(c1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H18N2O3S/c20-17-3-1-2-16(12-17)19(22)15-6-4-13(5-7-15)14-8-10-18(11-9-14)25(21,23)24/h1-12,19,22H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556159 (CHEMBL4784247) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type HIV-1 p66/p51 reverse transcriptase/nucleic acid binary complex using poly(rA)/oligo(dT) as templates in presence of [3...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540578 (CHEMBL4636187) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)16-11-9-14(10-12-16)13-5-7-15(8-6-13)19(22)17-3-1-2-4-18(17)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133408 (CHEMBL3632844) Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	62	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133403 (CHEMBL3632839) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H17NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12,19,22H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540577 (CHEMBL4635511) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1OC(=O)c2ccccc12 Show InChI InChI=1S/C20H15NO4S/c21-26(23,24)16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-17-3-1-2-4-18(17)20(22)25-19/h1-12,19H,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133408 (CHEMBL3632844) Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	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 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540573 (CHEMBL4634323) Show SMILES Nc1cccc(c1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-3-1-2-16(12-17)19(22)15-6-4-13(5-7-15)14-8-10-18(11-9-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50540582 (CHEMBL4639123) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C20H17NO5S/c21-27(25,26)18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(22)16-2-1-3-17(12-16)20(23)24/h1-12,19,22H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50540575 (CHEMBL4647509) Show SMILES Nc1ccccc1C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H18N2O3S/c20-18-4-2-1-3-17(18)19(22)15-7-5-13(6-8-15)14-9-11-16(12-10-14)25(21,23)24/h1-12,19,22H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50540572 (CHEMBL4641222) Show SMILES Nc1ccccc1C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-18-4-2-1-3-17(18)19(22)15-7-5-13(6-8-15)14-9-11-16(12-10-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	218	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133404 (CHEMBL3632840) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50540577 (CHEMBL4635511) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1OC(=O)c2ccccc12 Show InChI InChI=1S/C20H15NO4S/c21-26(23,24)16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-17-3-1-2-4-18(17)20(22)25-19/h1-12,19H,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	249	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50133402 (CHEMBL3632838) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	263	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50540573 (CHEMBL4634323) Show SMILES Nc1cccc(c1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-3-1-2-16(12-17)19(22)15-6-4-13(5-7-15)14-8-10-18(11-9-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	266	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50540572 (CHEMBL4641222) Show SMILES Nc1ccccc1C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-18-4-2-1-3-17(18)19(22)15-7-5-13(6-8-15)14-9-11-16(12-10-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	289	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50540581 (CHEMBL4648640) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-10-8-17(9-11-19)16-6-4-14(5-7-16)12-15-2-1-3-18(13-15)20(22)23/h1-11,13H,12H2,(H,22,23)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	323	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair

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