BDBM50349849 CHEMBL1813210

SMILES: NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1

InChI Key: InChIKey=HKJIJKJMKVDJQM-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50349849   

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 XIV (Homo sapiens (Human))	BDBM50349849 (CHEMBL1813210) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1 Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349849 (CHEMBL1813210) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1 Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349849 (CHEMBL1813210) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1 Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)	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	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349849 (CHEMBL1813210) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1 Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)	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	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349849 (CHEMBL1813210) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NC(CO)C(O)=O)n2)cc1 Show InChI InChI=1S/C12H13ClN6O5S/c13-10-17-11(19-12(18-10)16-8(5-20)9(21)22)15-6-1-3-7(4-2-6)25(14,23)24/h1-4,8,20H,5H2,(H,21,22)(H2,14,23,24)(H2,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	412	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair				3D Structure (docked)