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SMILES: Cn1nnc2c(ncn2c1=O)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=LGVZOXWEBPCYSM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50226919   

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))	BDBM50226919 (CHEMBL4099011) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7N9O4S2/c1-16-8(19)17-2-10-3(4(17)12-15-16)5(18)11-6-13-14-7(22-6)23(9,20)21/h2H,1H3,(H2,9,20,21)(H,11,13,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50226919 (CHEMBL4099011) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7N9O4S2/c1-16-8(19)17-2-10-3(4(17)12-15-16)5(18)11-6-13-14-7(22-6)23(9,20)21/h2H,1H3,(H2,9,20,21)(H,11,13,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50226919 (CHEMBL4099011) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7N9O4S2/c1-16-8(19)17-2-10-3(4(17)12-15-16)5(18)11-6-13-14-7(22-6)23(9,20)21/h2H,1H3,(H2,9,20,21)(H,11,13,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50226919 (CHEMBL4099011) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7N9O4S2/c1-16-8(19)17-2-10-3(4(17)12-15-16)5(18)11-6-13-14-7(22-6)23(9,20)21/h2H,1H3,(H2,9,20,21)(H,11,13,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	743	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair