BDBM60995 BDBM50401535::CNO-::fulminate ion

SMILES: [O-][N+]#[C-]

InChI Key: InChIKey=USXDFAGDIOXNML-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 60995   

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 1 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	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 cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 7142-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.065 BindingDB Entry DOI: 10.7270/Q2930VB8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	-8.25	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse (IBBR)-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 24: 4389-96 (2014) Article DOI: 10.1016/j.bmcl.2014.08.015 BindingDB Entry DOI: 10.7270/Q28054D1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+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 carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 24: 4402-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.014 BindingDB Entry DOI: 10.7270/Q2348N4M
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse (IBBR)-CNR Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 24: 4389-96 (2014) Article DOI: 10.1016/j.bmcl.2014.08.015 BindingDB Entry DOI: 10.7270/Q28054D1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse, CNR Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow C...				Bioorg Med Chem 25: 2010-2015 (2017) BindingDB Entry DOI: 10.7270/Q2JD5012
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 23: 1626-30 (2013) Article DOI: 10.1016/j.bmcl.2013.01.087 BindingDB Entry DOI: 10.7270/Q23X8806
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	-6.06	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+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 cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 22: 7142-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.065 BindingDB Entry DOI: 10.7270/Q2930VB8
					More data for this Ligand-Target Pair
Alpha-carbonic anhydrase (Vibrio cholerae)	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+4	-5.53	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
Gamma-carbonic anhydrase (Methanosarcina thermophila)	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biochimica delle Proteine - CNR Curated by ChEMBL					Assay Description Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assay				Bioorg Med Chem Lett 23: 4067-71 (2013) Article DOI: 10.1016/j.bmcl.2013.05.063 BindingDB Entry DOI: 10.7270/Q2HX1F27
					More data for this Ligand-Target Pair
β-Carbonic anhydrase (βCA) (Helicobacter pylori)	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+5	-4.68	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...				J Enzyme Inhib Med Chem 28: 388-91 (2013) Article DOI: 10.3109/14756366.2011.649268 BindingDB Entry DOI: 10.7270/Q2S75F7K
					More data for this Ligand-Target Pair
Alpha-carbonic anhydrase (Helicobacter pylori (strain G27))	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.00E+5	-4.32	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
α-Carbonic anhydrase (αCA) (Helicobacter pylori)	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.00E+5	-4.39	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...				J Enzyme Inhib Med Chem 28: 388-91 (2013) Article DOI: 10.3109/14756366.2011.649268 BindingDB Entry DOI: 10.7270/Q2S75F7K
					More data for this Ligand-Target Pair
Gamma-carbonic anhydrase (Vibrio cholerae)	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+6	-3.46	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase (Vibrio cholerae)	BDBM60995 (BDBM50401535 | CNO- | fulminate ion) Show SMILES [O-][N+]#[C-] Show InChI InChI=1S/CNO/c1-2-3/q-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10E+6	-2.88	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair