BDBM50504937 CHEMBL4538502

SMILES: NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1

InChI Key: InChIKey=JLKREKAPCORGQO-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50504937   

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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	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 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 (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	1.70E+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 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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.80	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 (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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+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 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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.80E+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 V (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+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 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 2 (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	1.70E+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 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 (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	>2.00E+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 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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	9.90	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 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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	43	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 V (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+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 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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	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 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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	2.20E+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 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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+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 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))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	>2.00E+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 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 (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	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	7.10E+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 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