BDBM50167337 3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-[1,3,5]triazin-2-ylamino}-propionic acid::CHEMBL190024

SMILES: NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1

InChI Key: InChIKey=ZHCSUKRMPQMZHD-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50167337   

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 9 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	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	1.20	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 Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 3102-8 (2005) Article DOI: 10.1016/j.bmcl.2005.04.056 BindingDB Entry DOI: 10.7270/Q2NP256X
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	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	1.70	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 12 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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 XIV (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.9	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 2 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 3102-8 (2005) Article DOI: 10.1016/j.bmcl.2005.04.056 BindingDB Entry DOI: 10.7270/Q2NP256X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	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	31	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 Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 3102-8 (2005) Article DOI: 10.1016/j.bmcl.2005.04.056 BindingDB Entry DOI: 10.7270/Q2NP256X
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167337 (3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21)	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	35	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