null

SMILES: COc1cc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O

InChI Key: InChIKey=JBAHLGPOCRITQH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50256770   

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))	BDBM50256770 (CHEMBL4067935) Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O Show InChI InChI=1S/C26H23N3O9S/c1-37-21-12-19(26(33)34)20(13-22(21)38-2)28-23(30)15-5-8-17-18(11-15)25(32)29(24(17)31)10-9-14-3-6-16(7-4-14)39(27,35)36/h3-8,11-13H,9-10H2,1-2H3,(H,28,30)(H,33,34)(H2,27,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University, Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2524-2529 (2017) Article DOI: 10.1016/j.bmc.2017.03.017 BindingDB Entry DOI: 10.7270/Q2TX3HTG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50256770 (CHEMBL4067935) Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O Show InChI InChI=1S/C26H23N3O9S/c1-37-21-12-19(26(33)34)20(13-22(21)38-2)28-23(30)15-5-8-17-18(11-15)25(32)29(24(17)31)10-9-14-3-6-16(7-4-14)39(27,35)36/h3-8,11-13H,9-10H2,1-2H3,(H,28,30)(H,33,34)(H2,27,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University, Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2524-2529 (2017) Article DOI: 10.1016/j.bmc.2017.03.017 BindingDB Entry DOI: 10.7270/Q2TX3HTG
					More data for this Ligand-Target Pair