BDBM50504924 CHEMBL4579465

SMILES: COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O

InChI Key: InChIKey=HBFALEBDZRZUTP-UHFFFAOYSA-N

Data: 24 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50504924   

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 2 (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as observed dissociation constant f...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50504924 (CHEMBL4579465) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1S(=O)(=O)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as kinetic dissociation constant fl...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair