Compile Data Set for Download or QSAR

Found 62 hits of ic50 for UniProtKB: P22748   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.25	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV				J Med Chem 45: 888-93 (2002) Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11419 (2-[(4-Methoxyphenyl)methyl]-3-[(4-morpholinyl)meth...) Show SMILES COc1ccc(CN2C(CN3CCOCC3)=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)cc1 |c:16| Show InChI InChI=1S/C19H23N3O6S3/c1-27-17-4-2-14(3-5-17)12-22-16(13-21-6-8-28-9-7-21)10-15-11-18(30(20,23)24)29-19(15)31(22,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.45	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11427 (2-N-(4-methylbenzene)-1,3,4-thiadiazole-2,5-disulf...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H10N4O4S3/c1-6-2-4-7(5-3-6)20(16,17)13-8-11-12-9(18-8)19(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11425 (2-(3-Hydroxyphenyl)-3-[(2-propynylamino)methyl]-2H...) Show SMILES NS(=O)(=O)c1cc2C=C(CNCC#C)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C16H15N3O5S3/c1-2-6-18-10-13-7-11-8-15(26(17,21)22)25-16(11)27(23,24)19(13)12-4-3-5-14(20)9-12/h1,3-5,7-9,18,20H,6,10H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.25	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11391 (2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...) Show SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:18| Show InChI InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV				J Med Chem 45: 888-93 (2002) Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11391 (2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...) Show SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:18| Show InChI InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.41	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11423 (2-[(4-Morpholinyl)phenyl]-3-[(4-morpholinyl)methyl...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3ccc(cc3)N3CCOCC3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C21H26N4O6S3/c22-33(26,27)20-14-16-13-19(15-23-5-9-30-10-6-23)25(34(28,29)21(16)32-20)18-3-1-17(2-4-18)24-7-11-31-12-8-24/h1-4,13-14H,5-12,15H2,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11422 (2-(3,4-Dimethoxyphenyl)-3-[(4-morpholinyl)methyl]-...) Show SMILES COc1ccc(cc1OC)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:20| Show InChI InChI=1S/C19H23N3O7S3/c1-27-16-4-3-14(11-17(16)28-2)22-15(12-21-5-7-29-8-6-21)9-13-10-18(31(20,23)24)30-19(13)32(22,25)26/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11394 (2-[2-(4-Morpholinyl)ethyl]-2H-thieno[3,2-e]-1,2-th...) Show SMILES NS(=O)(=O)c1cc2C=CN(CCN3CCOCC3)S(=O)(=O)c2s1 |c:7| Show InChI InChI=1S/C12H17N3O5S3/c13-22(16,17)11-9-10-1-2-15(23(18,19)12(10)21-11)4-3-14-5-7-20-8-6-14/h1-2,9H,3-8H2,(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11399 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) Show SMILES COCCN(CC=C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O |t:9| Show InChI InChI=1S/C14H21N3O5S3/c1-4-5-17(6-7-22-3)10-12-8-11-9-13(24(15,18)19)23-14(11)25(20,21)16(12)2/h4,8-9H,1,5-7,10H2,2-3H3,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11397 (2-Methyl-3-(4-morpholinylmethyl)-2H-thieno[3,2-e]-...) Show SMILES CN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:10| Show InChI InChI=1S/C12H17N3O5S3/c1-14-10(8-15-2-4-20-5-3-15)6-9-7-11(22(13,16)17)21-12(9)23(14,18)19/h6-7H,2-5,8H2,1H3,(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					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	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317409 (5-(Aminosulfonyl)-N-(2-pyridin-2-ylethyl)-2-[(2,3,...) Show SMILES NS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C20H15F4N3O3S2/c21-14-10-15(22)18(24)19(17(14)23)31-16-5-4-12(32(25,29)30)9-13(16)20(28)27-8-6-11-3-1-2-7-26-11/h1-5,7,9-10H,6,8H2,(H,27,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317403 (5-(Aminosulfonyl)-N-(pyridin-2-ylmethyl)-2-[(2,3,5...) Show SMILES NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C18H12F4N4O3S2/c19-12-6-13(20)15(22)16(14(12)21)30-18-11(5-10(8-26-18)31(23,28)29)17(27)25-7-9-3-1-2-4-24-9/h1-6,8H,7H2,(H,25,27)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317407 (5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(2,3,5,6-...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C16H15F4N3O4S2/c1-27-4-2-3-22-15(24)9-5-8(29(21,25)26)7-23-16(9)28-14-12(19)10(17)6-11(18)13(14)20/h5-7H,2-4H2,1H3,(H,22,24)(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	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317411 (5-(Aminosulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-[...) Show SMILES COc1ccc(CCCNC(=O)c2cc(cnc2Sc2c(F)c(F)cc(F)c2F)S(N)(=O)=O)cc1 Show InChI InChI=1S/C22H19F4N3O4S2/c1-33-13-6-4-12(5-7-13)3-2-8-28-21(30)15-9-14(35(27,31)32)11-29-22(15)34-20-18(25)16(23)10-17(24)19(20)26/h4-7,9-11H,2-3,8H2,1H3,(H,28,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C14H19N3O5S3/c1-2-3-17-12(10-16-4-6-22-7-5-16)8-11-9-13(24(15,18)19)23-14(11)25(17,20)21/h2,8-9H,1,3-7,10H2,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11416 (2-(3-Methoxypropyl)-3-[(4-morpholinyl)methyl]-2H-t...) Show SMILES COCCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:14| Show InChI InChI=1S/C15H23N3O6S3/c1-23-6-2-3-18-13(11-17-4-7-24-8-5-17)9-12-10-14(26(16,19)20)25-15(12)27(18,21)22/h9-10H,2-8,11H2,1H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.6	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317410 (CHEMBL1099151 | N-(3-Aminopropyl)-5-(aminosulfonyl...) Show SMILES NCCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C16H16F4N4O3S2/c17-10-6-11(18)13(20)14(12(10)19)28-16-9(15(25)23-4-2-1-3-21)5-8(7-24-16)29(22,26)27/h5-7H,1-4,21H2,(H,23,25)(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11414 (2-(2-Methoxyethyl)-3-[(4-morpholinyl)methyl]-2H-th...) Show SMILES COCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13| Show InChI InChI=1S/C14H21N3O6S3/c1-22-5-4-17-12(10-16-2-6-23-7-3-16)8-11-9-13(25(15,18)19)24-14(11)26(17,20)21/h8-9H,2-7,10H2,1H3,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.9	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV				J Med Chem 45: 888-93 (2002) Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	45.3	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317405 (5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H17F2N3O4S2/c1-29-13-4-2-12(3-5-13)10-24-19(26)16-9-15(31(23,27)28)11-25-20(16)30-14-6-7-17(21)18(22)8-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11413 (2-Cyclohexyl-3-[(4-morpholinyl)methyl]-2H-thieno[3...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(C3CCCCC3)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C17H25N3O5S3/c18-27(21,22)16-11-13-10-15(12-19-6-8-25-9-7-19)20(14-4-2-1-3-5-14)28(23,24)17(13)26-16/h10-11,14H,1-9,12H2,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.5	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317402 (5-(Aminosulfonyl)-N-(2-phenylethyl)-2-(phenylthio)...) Show SMILES NS(=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11396 (1,1-dioxo-2-[2-(propylamino)ethyl]-2H-1,7,2-thieno...) Show SMILES CCCNCCN1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:7| Show InChI InChI=1S/C11H17N3O4S3/c1-2-4-13-5-7-14-6-3-9-8-10(20(12,15)16)19-11(9)21(14,17)18/h3,6,8,13H,2,4-5,7H2,1H3,(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73.6	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317406 (5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(3-fluoro...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O Show InChI InChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317404 (5-(Aminosulfonyl)-N-ethyl-2-[(3-fluorophenyl)thio]...) Show SMILES CCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O Show InChI InChI=1S/C14H14FN3O3S2/c1-2-17-13(19)12-7-11(23(16,20)21)8-18-14(12)22-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,17,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11392 ((4R)-4-amino-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4...) Show SMILES COCCCN1C[C@H](N)c2cc(sc2S1(=O)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C10H17N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5,8H,2-4,6,11H2,1H3,(H2,12,14,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV				J Med Chem 45: 888-93 (2002) Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317408 (5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccc(F)c(F)c1)S(N)(=O)=O Show InChI InChI=1S/C16H17F2N3O4S2/c1-25-6-2-5-20-15(22)12-8-11(27(19,23)24)9-21-16(12)26-10-3-4-13(17)14(18)7-10/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317418 (6-[(2,3,5,6-Tetrafluorophenyl)thio]pyridine-3-sulf...) Show SMILES NS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)nc1 Show InChI InChI=1S/C11H6F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)20-8-2-1-5(4-17-8)21(16,18)19/h1-4H,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317401 (5-(Aminosulfonyl)-2-(phenylthio)-N-propylnicotinam...) Show SMILES CCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H17N3O3S2/c1-2-8-17-14(19)13-9-12(23(16,20)21)10-18-15(13)22-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317386 (5-(Aminosulfonyl)-N-benzyl-2-(phenylthio)benzamide...) Show SMILES NS(=O)(=O)c1ccc(Sc2ccccc2)c(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H18N2O3S2/c21-27(24,25)17-11-12-19(26-16-9-5-2-6-10-16)18(13-17)20(23)22-14-15-7-3-1-4-8-15/h1-13H,14H2,(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	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317400 (5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthi...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317397 (5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)nicotinami...) Show SMILES CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317399 (5-(Aminosulfonyl)-N-(2-methoxyethyl)-2-(phenylthio...) Show SMILES COCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H17N3O4S2/c1-22-8-7-17-14(19)13-9-12(24(16,20)21)10-18-15(13)23-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) Show SMILES COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H20O5/c1-9(2)6-13(17)11-7-10(4-5-15(18)19)12(16)8-14(11)20-3/h4-5,7-9,13,16-17H,6H2,1-3H3,(H,18,19)/b5-4-/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317413 (6-[(3,4-Difluorophenyl)thio]-5-{[(4-methoxybenzyl)...) Show SMILES COc1ccc(CNCc2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H19F2N3O3S2/c1-28-15-4-2-13(3-5-15)10-24-11-14-8-17(30(23,26)27)12-25-20(14)29-16-6-7-18(21)19(22)9-16/h2-9,12,24H,10-11H2,1H3,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM237337 (N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM237338 (N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulf...) Show SMILES CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-3-22(4-2)13-14-27-17-7-5-16(6-8-17)15-21-29(25,26)19-11-9-18(10-12-19)28(20,23)24/h5-12,21H,3-4,13-15H2,1-2H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	508	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317387 (5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)benzamide ...) Show SMILES CCNC(=O)c1cc(ccc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H16N2O3S2/c1-2-17-15(18)13-10-12(22(16,19)20)8-9-14(13)21-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM237336 (4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	611	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317392 (5-(Aminosulfonyl)-2-(phenylthio)-N-(pyridin-2-ylme...) Show SMILES NS(=O)(=O)c1ccc(Sc2ccccc2)c(c1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C19H17N3O3S2/c20-27(24,25)16-9-10-18(26-15-7-2-1-3-8-15)17(12-16)19(23)22-13-14-6-4-5-11-21-14/h1-12H,13H2,(H,22,23)(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	783	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317390 (5-(Aminosulfonyl)-2-{[2-(hydroxymethyl)phenyl]thio...) Show SMILES NS(=O)(=O)c1ccc(Sc2ccccc2CO)c(c1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C20H19N3O4S2/c21-29(26,27)16-8-9-19(28-18-7-2-1-5-14(18)13-24)17(11-16)20(25)23-12-15-6-3-4-10-22-15/h1-11,24H,12-13H2,(H,23,25)(H2,21,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	952	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317412 (6-[(3,4-Difluorophenyl)thio]-5-(hydroxymethyl)-pyr...) Show SMILES NS(=O)(=O)c1cnc(Sc2ccc(F)c(F)c2)c(CO)c1 Show InChI InChI=1S/C12H10F2N2O3S2/c13-10-2-1-8(4-11(10)14)20-12-7(6-17)3-9(5-16-12)21(15,18)19/h1-5,17H,6H2,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair

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