BDBM50504770 CHEMBL4470233

SMILES: Nc1nc(NC(=O)Nc2ccc(F)cc2)nn1-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ZUCXZBVLICFTKO-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 = 50504770   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504770 (CHEMBL4470233) Show SMILES Nc1nc(NC(=O)Nc2ccc(F)cc2)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14FN7O3S/c16-9-1-3-10(4-2-9)19-15(24)21-14-20-13(17)23(22-14)11-5-7-12(8-6-11)27(18,25)26/h1-8H,(H2,18,25,26)(H4,17,19,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504770 (CHEMBL4470233) Show SMILES Nc1nc(NC(=O)Nc2ccc(F)cc2)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14FN7O3S/c16-9-1-3-10(4-2-9)19-15(24)21-14-20-13(17)23(22-14)11-5-7-12(8-6-11)27(18,25)26/h1-8H,(H2,18,25,26)(H4,17,19,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504770 (CHEMBL4470233) Show SMILES Nc1nc(NC(=O)Nc2ccc(F)cc2)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14FN7O3S/c16-9-1-3-10(4-2-9)19-15(24)21-14-20-13(17)23(22-14)11-5-7-12(8-6-11)27(18,25)26/h1-8H,(H2,18,25,26)(H4,17,19,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504770 (CHEMBL4470233) Show SMILES Nc1nc(NC(=O)Nc2ccc(F)cc2)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14FN7O3S/c16-9-1-3-10(4-2-9)19-15(24)21-14-20-13(17)23(22-14)11-5-7-12(8-6-11)27(18,25)26/h1-8H,(H2,18,25,26)(H4,17,19,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair