BDBM150254 US8980932, 4d (DH302)

SMILES: NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1

InChI Key: InChIKey=QXMCVZVPPBSJEO-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 150254   

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 2 (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 8512-20 (2013) Article DOI: 10.1021/jm4009532 BindingDB Entry DOI: 10.7270/Q2GQ71QP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.80	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stichting Maastricht Radiation Oncology “Maastro-Clinic”; Université Montpellier 2 Sciences et Techniques US Patent					Assay Description The inhibition constants (K) the compounds for four CA isozymes, CA I, II, IX and XII were determined. An Applied Photophysics (Oxford, UK) stopped-f...				US Patent US8980932 (2015) BindingDB Entry DOI: 10.7270/Q2GX499J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.30	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stichting Maastricht Radiation Oncology “Maastro-Clinic”; Université Montpellier 2 Sciences et Techniques US Patent					Assay Description The inhibition constants (K) the compounds for four CA isozymes, CA I, II, IX and XII were determined. An Applied Photophysics (Oxford, UK) stopped-f...				US Patent US8980932 (2015) BindingDB Entry DOI: 10.7270/Q2GX499J
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of recombinant human catalytic domain of carbonic anhydrase-9 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 8512-20 (2013) Article DOI: 10.1021/jm4009532 BindingDB Entry DOI: 10.7270/Q2GQ71QP
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stichting Maastricht Radiation Oncology “Maastro-Clinic”; Université Montpellier 2 Sciences et Techniques US Patent					Assay Description The inhibition constants (K) the compounds for four CA isozymes, CA I, II, IX and XII were determined. An Applied Photophysics (Oxford, UK) stopped-f...				US Patent US8980932 (2015) BindingDB Entry DOI: 10.7270/Q2GX499J
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of recombinant human catalytic domain of carbonic anhydrase-12 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 8512-20 (2013) Article DOI: 10.1021/jm4009532 BindingDB Entry DOI: 10.7270/Q2GQ71QP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	101	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stichting Maastricht Radiation Oncology “Maastro-Clinic”; Université Montpellier 2 Sciences et Techniques US Patent					Assay Description The inhibition constants (K) the compounds for four CA isozymes, CA I, II, IX and XII were determined. An Applied Photophysics (Oxford, UK) stopped-f...				US Patent US8980932 (2015) BindingDB Entry DOI: 10.7270/Q2GX499J
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM150254 (US8980932, 4d (DH302)) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+]([O-])=O)c1 Show InChI InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-2-8(6-9)14-10(17)7-15-5-4-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human cytosolic carbonic anhydrase-1 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 8512-20 (2013) Article DOI: 10.1021/jm4009532 BindingDB Entry DOI: 10.7270/Q2GQ71QP
					More data for this Ligand-Target Pair