BDBM50329830 2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide::CHEMBL1272189::N-alkylated benzimidazole derivative, 4c

SMILES: NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12

InChI Key: InChIKey=FDKWBNMTKPSTKP-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50329830   

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))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.14E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.56E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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 1 (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.10E+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))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+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 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 7 (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	400	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))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	333	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair