BindingDB PrimarySearch

BDBM50349850 CHEMBL1738787

SMILES: NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1

InChI Key: InChIKey=QZIFPRRIFLBFHT-UHFFFAOYSA-N

Data: 13 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50349850
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.75	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 CA9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.75	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
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60	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
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60	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 CA12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.80	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
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	37	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
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	340	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 CA5B by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	451	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 CA5A by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+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
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair