BDBM50058825 CHEMBL3325728

SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC

InChI Key: InChIKey=DNTDBPHBTDWBQP-BDANYOJNSA-N

Data: 1 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 1 hit for monomerid = 50058825   

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 (Bos taurus)	BDBM50058825 (CHEMBL3325728) Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15| Show InChI InChI=1S/C31H49NO6S/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)38-39(32,35)36)21(33)17-19-20-18-28(4,25(34)37-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24H,9-16,18H2,1-8H3,(H2,32,35,36)/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay				Eur J Med Chem 86: 95-102 (2014) Article DOI: 10.1016/j.ejmech.2014.08.051 BindingDB Entry DOI: 10.7270/Q2R78GWB
					More data for this Ligand-Target Pair