BDBM50210778 CHEMBL3922793

SMILES: CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1

InChI Key: InChIKey=GKZFZZDAFYGRQR-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 = 50210778   

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
Cholinesterase (Equus caballus (Horse))	BDBM50210778 (CHEMBL3922793) Show SMILES CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C28H42N10/c1-27(2,3)19-7-11-21(12-8-19)33-23(29)35-25(31)37-15-17-38(18-16-37)26(32)36-24(30)34-22-13-9-20(10-14-22)28(4,5)6/h7-14H,15-18H2,1-6H3,(H4,29,31,33,35)(H4,30,32,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50210778 (CHEMBL3922793) Show SMILES CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C28H42N10/c1-27(2,3)19-7-11-21(12-8-19)33-23(29)35-25(31)37-15-17-38(18-16-37)26(32)36-24(30)34-22-13-9-20(10-14-22)28(4,5)6/h7-14H,15-18H2,1-6H3,(H4,29,31,33,35)(H4,30,32,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated ...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50210778 (CHEMBL3922793) Show SMILES CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C28H42N10/c1-27(2,3)19-7-11-21(12-8-19)33-23(29)35-25(31)37-15-17-38(18-16-37)26(32)36-24(30)34-22-13-9-20(10-14-22)28(4,5)6/h7-14H,15-18H2,1-6H3,(H4,29,31,33,35)(H4,30,32,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50210778 (CHEMBL3922793) Show SMILES CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C28H42N10/c1-27(2,3)19-7-11-21(12-8-19)33-23(29)35-25(31)37-15-17-38(18-16-37)26(32)36-24(30)34-22-13-9-20(10-14-22)28(4,5)6/h7-14H,15-18H2,1-6H3,(H4,29,31,33,35)(H4,30,32,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincuba...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair