null

SMILES: NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O

InChI Key: InChIKey=ANNKSEHPPUSPLF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50504899   

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 12 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0700	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 anhydrase 2 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17	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 7 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 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 12 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	30	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 6 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.860	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 13 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	51	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 9 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17	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 14 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70	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 7 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0100	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 2 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 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 5B, mitochondrial (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.10	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 6 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+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 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 anhydrase 3 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.02E+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 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 13 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.290	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 1 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.30	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 5B, mitochondrial (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0300	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 4 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	64	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 14 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.00900	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 1 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+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 3 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	150	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 9 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0300	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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50504899 (CHEMBL4456084) Show SMILES NC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.110	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