BDBM50504755 CHEMBL4552517

SMILES: Cc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=MOOTZKDQBFJRFX-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 = 50504755   

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))	BDBM50504755 (CHEMBL4552517) Show SMILES Cc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H17N7O3S/c1-10-2-4-11(5-3-10)19-16(24)21-15-20-14(17)23(22-15)12-6-8-13(9-7-12)27(18,25)26/h2-9H,1H3,(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	3.90	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))	BDBM50504755 (CHEMBL4552517) Show SMILES Cc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H17N7O3S/c1-10-2-4-11(5-3-10)19-16(24)21-15-20-14(17)23(22-15)12-6-8-13(9-7-12)27(18,25)26/h2-9H,1H3,(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	24	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))	BDBM50504755 (CHEMBL4552517) Show SMILES Cc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H17N7O3S/c1-10-2-4-11(5-3-10)19-16(24)21-15-20-14(17)23(22-15)12-6-8-13(9-7-12)27(18,25)26/h2-9H,1H3,(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	43	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))	BDBM50504755 (CHEMBL4552517) Show SMILES Cc1ccc(NC(=O)Nc2nc(N)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H17N7O3S/c1-10-2-4-11(5-3-10)19-16(24)21-15-20-14(17)23(22-15)12-6-8-13(9-7-12)27(18,25)26/h2-9H,1H3,(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	313	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