BindingDB PrimarySearch

BDBM50507821 CHEMBL4453778

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1

InChI Key: InChIKey=XFZDOSQYWUGODS-UHFFFAOYSA-N

Data: 12 KI

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50507821
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 anhydrase 2 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant full length human carbonic anhydrase-1 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA1 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow ...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant full length human carbonic anhydrase-7 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA7 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow ...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA14 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA9 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50507821 (CHEMBL4453778) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow a...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073
Universit£ degli Studi di Messina Curated by ChEMBL					More data for this Ligand-Target Pair