BDBM50226857 CHEMBL4072049

SMILES: Cn1nnc2c(ncn2c1=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=MAXVDLFMMNGPFA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50226857   

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))	BDBM50226857 (CHEMBL4072049) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50226857 (CHEMBL4072049) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	271	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))	BDBM50226857 (CHEMBL4072049) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	539	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50226857 (CHEMBL4072049) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.24E+4	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