BindingDB PrimarySearch

null

SMILES: NS(=O)(=O)c1ccc(CO)cc1

InChI Key: InChIKey=UULCVOIRJRJPQS-UHFFFAOYSA-N

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 115 hits for monomerid = 10876
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 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA1				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
A.P.S. University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant carbonic anhydrase I (CA1)				J Med Chem 42: 3690-700 (1999) Article DOI: 10.1021/jm9901879 BindingDB Entry DOI: 10.7270/Q26Q1XXC
Universit£ degli Studi Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I (CA1)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
Università degli Studi Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase I				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
Universit£ degli Studi Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40E+4	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 activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase I (CAI)				Bioorg Med Chem Lett 13: 447-53 (2003) BindingDB Entry DOI: 10.7270/Q2668GC9
A.P.S. University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	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 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1534-8 (2013) Article DOI: 10.1016/j.bmc.2012.07.024 BindingDB Entry DOI: 10.7270/Q2VQ3463
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).				J Med Chem 42: 2641-50 (1999) Article DOI: 10.1021/jm9900523 BindingDB Entry DOI: 10.7270/Q2J67HMK
Universit£ degli Studi Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40E+4	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 activity against human cloned carbonic anhydrase isozyme I by esterase assay method.				Bioorg Med Chem Lett 13: 1005-9 (2003) BindingDB Entry DOI: 10.7270/Q2PV6KXV
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.83E+4	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 full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Anopheles gambiae)	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2303-9 (2015) Article DOI: 10.1016/j.bmc.2015.03.081 BindingDB Entry DOI: 10.7270/Q2TX3H2M
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.89E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay				Bioorg Med Chem 15: 7229-36 (2007) Article DOI: 10.1016/j.bmc.2007.08.037 BindingDB Entry DOI: 10.7270/Q2TH8NJ9
Kochi Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.99E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GITAM University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3089-93 (2010) Article DOI: 10.1016/j.bmcl.2010.03.104 BindingDB Entry DOI: 10.7270/Q28C9XGR
GITAM University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase				Bioorg Med Chem Lett 14: 5703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.07.085 BindingDB Entry DOI: 10.7270/Q23N22VW
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10876 (4-(hydroxymethyl)benzene-1-sulfonamide \| CHEMBL691...) Show SMILES NS(=O)(=O)c1ccc(CO)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase				Bioorg Med Chem Lett 14: 5703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.07.085 BindingDB Entry DOI: 10.7270/Q23N22VW
Università degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)

<< First | Previous | Displayed 101 to 115 (of 115 total )