BDBM50504938 CHEMBL4578934

SMILES: NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl

InChI Key: InChIKey=XUXDCUQYQUMQNX-UHFFFAOYSA-N

Data: 22 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 22 hits for monomerid = 50504938   

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 (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	0.160	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	83	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	0.150	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	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 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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.13E+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 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 (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	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 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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	910	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	2.50E+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 2 (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	0.0800	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	0.0300	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 (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	200	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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 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 V (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0300	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 (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	42	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 V (Homo sapiens (Human))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	29	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	200	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	27	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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	1.70	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	PDB UniProtKB/SwissProt 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 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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	0.0200	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 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))	BDBM50504938 (CHEMBL4578934) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(SCCc2ccccc2)cc1Cl Show InChI InChI=1S/C15H14ClNO4S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(18)19)8-14(12)23(17,20)21/h1-5,8-9H,6-7H2,(H,18,19)(H2,17,20,21)	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	0.180	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