BDBM50349855 CHEMBL1813217

SMILES: NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1

InChI Key: InChIKey=HJBWOCLFPXFIEF-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 = 50349855   

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))	BDBM50349855 (CHEMBL1813217) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1 Show InChI InChI=1S/C20H21ClN6O6S/c21-18-25-19(23-8-7-11-1-4-13(5-2-11)34(22,32)33)27-20(26-18)24-14(17(30)31)9-12-3-6-15(28)16(29)10-12/h1-6,10,14,28-29H,7-9H2,(H,30,31)(H2,22,32,33)(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	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))	BDBM50349855 (CHEMBL1813217) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1 Show InChI InChI=1S/C20H21ClN6O6S/c21-18-25-19(23-8-7-11-1-4-13(5-2-11)34(22,32)33)27-20(26-18)24-14(17(30)31)9-12-3-6-15(28)16(29)10-12/h1-6,10,14,28-29H,7-9H2,(H,30,31)(H2,22,32,33)(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	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))	BDBM50349855 (CHEMBL1813217) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1 Show InChI InChI=1S/C20H21ClN6O6S/c21-18-25-19(23-8-7-11-1-4-13(5-2-11)34(22,32)33)27-20(26-18)24-14(17(30)31)9-12-3-6-15(28)16(29)10-12/h1-6,10,14,28-29H,7-9H2,(H,30,31)(H2,22,32,33)(H2,23,24,25,26,27)	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	91	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 2 (Homo sapiens (Human))	BDBM50349855 (CHEMBL1813217) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1 Show InChI InChI=1S/C20H21ClN6O6S/c21-18-25-19(23-8-7-11-1-4-13(5-2-11)34(22,32)33)27-20(26-18)24-14(17(30)31)9-12-3-6-15(28)16(29)10-12/h1-6,10,14,28-29H,7-9H2,(H,30,31)(H2,22,32,33)(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	371	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))	BDBM50349855 (CHEMBL1813217) Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NC(Cc3ccc(O)c(O)c3)C(O)=O)n2)cc1 Show InChI InChI=1S/C20H21ClN6O6S/c21-18-25-19(23-8-7-11-1-4-13(5-2-11)34(22,32)33)27-20(26-18)24-14(17(30)31)9-12-3-6-15(28)16(29)10-12/h1-6,10,14,28-29H,7-9H2,(H,30,31)(H2,22,32,33)(H2,23,24,25,26,27)	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	1.55E+3	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