Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'de souza' and Initial = 'mc'   

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))	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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535388 (CHEMBL4594101) Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1	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
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					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
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50438272 (CHEMBL560455) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 reverse transcriptase				Bioorg Med Chem Lett 22: 5055-8 (2012) Article DOI: 10.1016/j.bmcl.2012.06.020 BindingDB Entry DOI: 10.7270/Q2VX0KCN
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50438272 (CHEMBL560455) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 reverse transcriptase				Bioorg Med Chem Lett 22: 5055-8 (2012) Article DOI: 10.1016/j.bmcl.2012.06.020 BindingDB Entry DOI: 10.7270/Q2VX0KCN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535392 (CHEMBL4436477) Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535389 (CHEMBL4545611) Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535390 (CHEMBL4558023) Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535392 (CHEMBL4436477) Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535388 (CHEMBL4594101) Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535396 (CHEMBL4580887) Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535396 (CHEMBL4580887) Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535396 (CHEMBL4580887) Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535389 (CHEMBL4545611) Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535395 (CHEMBL4562842) Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50535388 (CHEMBL4594101) Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535391 (CHEMBL4476550) Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50535396 (CHEMBL4580887) Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535390 (CHEMBL4558023) Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535394 (CHEMBL4544253) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535397 (CHEMBL4439864) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535391 (CHEMBL4476550) Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535397 (CHEMBL4439864) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535393 (CHEMBL4443515) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535388 (CHEMBL4594101) Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50535388 (CHEMBL4594101) Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535389 (CHEMBL4545611) Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535390 (CHEMBL4558023) Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535391 (CHEMBL4476550) Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50535393 (CHEMBL4443515) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50535394 (CHEMBL4544253) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535393 (CHEMBL4443515) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50535396 (CHEMBL4580887) Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50535391 (CHEMBL4476550) Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535394 (CHEMBL4544253) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50535395 (CHEMBL4562842) Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535397 (CHEMBL4439864) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438269 (CHEMBL2408381) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2ccc(Br)cc12 |r| Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-7-9(3-6)17(4-8(11(7)19)15(22)23)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438274 (CHEMBL2408382) Show SMILES Cc1ccc2c(c1)n(cc(C(O)=O)c2=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO7/c1-7-2-3-8-10(4-7)17(5-9(12(8)19)16(22)23)15-14(21)13(20)11(6-18)24-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50535393 (CHEMBL4443515) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438268 (CHEMBL2408383) Show SMILES COc1ccc2n(cc(C(O)=O)c(=O)c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO8/c1-24-7-2-3-10-8(4-7)12(19)9(16(22)23)5-17(10)15-14(21)13(20)11(6-18)25-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50535389 (CHEMBL4545611) Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535395 (CHEMBL4562842) Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50535392 (CHEMBL4436477) Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438273 (CHEMBL2408384) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Br)ccc12 |r| Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50535394 (CHEMBL4544253) Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 10: 413-418 (2019) Article DOI: 10.1021/acsmedchemlett.8b00430 BindingDB Entry DOI: 10.7270/Q2RX9GKK
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438272 (CHEMBL560455) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 108 total )  |  Next  |  Last  >>

Jump to: