BDBM50430728 CHEMBL2333928

SMILES: C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C

InChI Key: InChIKey=NABJRKRPLBDFTB-HSZRJFAPSA-N

Data: 4 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 = 50430728   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50430728 (CHEMBL2333928) Show SMILES C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r| Show InChI InChI=1S/C31H38ClN3O/c1-4-19-35(3)23(2)21-24-12-15-26(16-13-24)36-20-9-5-8-18-33-31-27-10-6-7-11-29(27)34-30-22-25(32)14-17-28(30)31/h1,12-17,22-23H,5-11,18-21H2,2-3H3,(H,33,34)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using p-benzylamine substrate preincubated for 15 mins before substrate addition measured after 20 mins by fluo...				Eur J Med Chem 62: 745-53 (2013) Article DOI: 10.1016/j.ejmech.2013.01.039 BindingDB Entry DOI: 10.7270/Q2C82BN6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50430728 (CHEMBL2333928) Show SMILES C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r| Show InChI InChI=1S/C31H38ClN3O/c1-4-19-35(3)23(2)21-24-12-15-26(16-13-24)36-20-9-5-8-18-33-31-27-10-6-7-11-29(27)34-30-22-25(32)14-17-28(30)31/h1,12-17,22-23H,5-11,18-21H2,2-3H3,(H,33,34)/t23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 62: 745-53 (2013) Article DOI: 10.1016/j.ejmech.2013.01.039 BindingDB Entry DOI: 10.7270/Q2C82BN6
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50430728 (CHEMBL2333928) Show SMILES C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r| Show InChI InChI=1S/C31H38ClN3O/c1-4-19-35(3)23(2)21-24-12-15-26(16-13-24)36-20-9-5-8-18-33-31-27-10-6-7-11-29(27)34-30-22-25(32)14-17-28(30)31/h1,12-17,22-23H,5-11,18-21H2,2-3H3,(H,33,34)/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 62: 745-53 (2013) Article DOI: 10.1016/j.ejmech.2013.01.039 BindingDB Entry DOI: 10.7270/Q2C82BN6
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50430728 (CHEMBL2333928) Show SMILES C[C@H](Cc1ccc(OCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r| Show InChI InChI=1S/C31H38ClN3O/c1-4-19-35(3)23(2)21-24-12-15-26(16-13-24)36-20-9-5-8-18-33-31-27-10-6-7-11-29(27)34-30-22-25(32)14-17-28(30)31/h1,12-17,22-23H,5-11,18-21H2,2-3H3,(H,33,34)/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A using p-tyramine substrate preincubated for 15 mins before substrate addition measured after 20 mins by fluores...				Eur J Med Chem 62: 745-53 (2013) Article DOI: 10.1016/j.ejmech.2013.01.039 BindingDB Entry DOI: 10.7270/Q2C82BN6
					More data for this Ligand-Target Pair