BDBM50329834 2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]ben-zenesulfonamide::2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide::CHEMBL1232443

SMILES: NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1

InChI Key: InChIKey=CPDWGRXCTGPNOE-UHFFFAOYSA-N

Data: 8 Kd

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50329834   

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 1 (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	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	n/a	100	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	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	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50329834 (2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair