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SMILES: Nc1nc(N)c2nc(CNCCc3ccc(cc3)S(N)(=O)=O)cnc2n1

InChI Key: InChIKey=WCRHQBWCHFXCQJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50326676   

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 9 (Homo sapiens (Human))	BDBM50326676 (4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)...) Show SMILES Nc1nc(N)c2nc(CNCCc3ccc(cc3)S(N)(=O)=O)cnc2n1 Show InChI InChI=1S/C15H18N8O2S/c16-13-12-14(23-15(17)22-13)20-8-10(21-12)7-19-6-5-9-1-3-11(4-2-9)26(18,24)25/h1-4,8,19H,5-7H2,(H2,18,24,25)(H4,16,17,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior T£cnico Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 5081-9 (2010) Article DOI: 10.1016/j.bmc.2010.05.072 BindingDB Entry DOI: 10.7270/Q2T154M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50326676 (4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)...) Show SMILES Nc1nc(N)c2nc(CNCCc3ccc(cc3)S(N)(=O)=O)cnc2n1 Show InChI InChI=1S/C15H18N8O2S/c16-13-12-14(23-15(17)22-13)20-8-10(21-12)7-19-6-5-9-1-3-11(4-2-9)26(18,24)25/h1-4,8,19H,5-7H2,(H2,18,24,25)(H4,16,17,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior T£cnico Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 5081-9 (2010) Article DOI: 10.1016/j.bmc.2010.05.072 BindingDB Entry DOI: 10.7270/Q2T154M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50326676 (4-(2-((2,4-Diaminopteridin-6-yl)methylamino)ethyl)...) Show SMILES Nc1nc(N)c2nc(CNCCc3ccc(cc3)S(N)(=O)=O)cnc2n1 Show InChI InChI=1S/C15H18N8O2S/c16-13-12-14(23-15(17)22-13)20-8-10(21-12)7-19-6-5-9-1-3-11(4-2-9)26(18,24)25/h1-4,8,19H,5-7H2,(H2,18,24,25)(H4,16,17,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior T£cnico Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 5081-9 (2010) Article DOI: 10.1016/j.bmc.2010.05.072 BindingDB Entry DOI: 10.7270/Q2T154M1
					More data for this Ligand-Target Pair