BDBM50058829 CHEMBL3325867

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

InChI Key: InChIKey=ZFHYOSPBLYPCBO-SUXCAEKLSA-N

Data: 3 KI  1 IC50

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 = 50058829   

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)	BDBM50058829 (CHEMBL3325867) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[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/C31H51NO6S/c1-26(2)13-15-31(25(34)37-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(33)24(38-39(32,35)36)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,33H,10-18H2,1-8H3,(H2,32,35,36)/t20-,21+,22-,23+,24-,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	1.41E+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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50058829 (CHEMBL3325867) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[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/C31H51NO6S/c1-26(2)13-15-31(25(34)37-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(33)24(38-39(32,35)36)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,33H,10-18H2,1-8H3,(H2,32,35,36)/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+4	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 equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...				Eur J Med Chem 103: 438-45 (2015) BindingDB Entry DOI: 10.7270/Q2WS8W46
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50058829 (CHEMBL3325867) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[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/C31H51NO6S/c1-26(2)13-15-31(25(34)37-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(33)24(38-39(32,35)36)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,33H,10-18H2,1-8H3,(H2,32,35,36)/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.05E+4	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 Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...				Eur J Med Chem 103: 438-45 (2015) BindingDB Entry DOI: 10.7270/Q2WS8W46
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50058829 (CHEMBL3325867) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[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/C31H51NO6S/c1-26(2)13-15-31(25(34)37-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(33)24(38-39(32,35)36)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,33H,10-18H2,1-8H3,(H2,32,35,36)/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.13E+4	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 Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...				Eur J Med Chem 103: 438-45 (2015) BindingDB Entry DOI: 10.7270/Q2WS8W46
					More data for this Ligand-Target Pair