BDBM50199521 16-methyl-14-[2-(4-{2-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-14-yl]ethyl}-1,4-diazepan-1-yl)ethyl]-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one::CHEMBL389583::N,N'-bis(1-oxo-8,15-didehydrolycodinoethyl)-homopiperazine

SMILES: CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1

InChI Key: InChIKey=HJNXIXULSCHZBG-YEUCHJDASA-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 = 50199521   

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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50199521 (16-methyl-14-[2-(4-{2-[16-methyl-5-oxo-6,14-diazat...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:52,t:1,TLB:6:5:14:13.2.1,10:11:14:13.2.1,THB:36:35:32:43.46.44,40:41:32:43.46.44| Show InChI InChI=1S/C41H56N6O2/c1-28-22-30-24-36-34(8-10-38(48)42-36)40(26-28)32(30)6-3-14-46(40)20-18-44-12-5-13-45(17-16-44)19-21-47-15-4-7-33-31-23-29(2)27-41(33,47)35-9-11-39(49)43-37(35)25-31/h8-11,22-23,30-33H,3-7,12-21,24-27H2,1-2H3,(H,42,48)(H,43,49)/t30-,31-,32+,33+,40+,41+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against butyrylcholinesterase from rat serum				Bioorg Med Chem Lett 15: 523-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.060 BindingDB Entry DOI: 10.7270/Q2Z89BW8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199521 (16-methyl-14-[2-(4-{2-[16-methyl-5-oxo-6,14-diazat...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:52,t:1,TLB:6:5:14:13.2.1,10:11:14:13.2.1,THB:36:35:32:43.46.44,40:41:32:43.46.44| Show InChI InChI=1S/C41H56N6O2/c1-28-22-30-24-36-34(8-10-38(48)42-36)40(26-28)32(30)6-3-14-46(40)20-18-44-12-5-13-45(17-16-44)19-21-47-15-4-7-33-31-23-29(2)27-41(33,47)35-9-11-39(49)43-37(35)25-31/h8-11,22-23,30-33H,3-7,12-21,24-27H2,1-2H3,(H,42,48)(H,43,49)/t30-,31-,32+,33+,40+,41+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	5.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex at pH 5				Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50199521 (16-methyl-14-[2-(4-{2-[16-methyl-5-oxo-6,14-diazat...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:52,t:1,TLB:6:5:14:13.2.1,10:11:14:13.2.1,THB:36:35:32:43.46.44,40:41:32:43.46.44| Show InChI InChI=1S/C41H56N6O2/c1-28-22-30-24-36-34(8-10-38(48)42-36)40(26-28)32(30)6-3-14-46(40)20-18-44-12-5-13-45(17-16-44)19-21-47-15-4-7-33-31-23-29(2)27-41(33,47)35-9-11-39(49)43-37(35)25-31/h8-11,22-23,30-33H,3-7,12-21,24-27H2,1-2H3,(H,42,48)(H,43,49)/t30-,31-,32+,33+,40+,41+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of BuChE in rat serum				Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199521 (16-methyl-14-[2-(4-{2-[16-methyl-5-oxo-6,14-diazat...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:52,t:1,TLB:6:5:14:13.2.1,10:11:14:13.2.1,THB:36:35:32:43.46.44,40:41:32:43.46.44| Show InChI InChI=1S/C41H56N6O2/c1-28-22-30-24-36-34(8-10-38(48)42-36)40(26-28)32(30)6-3-14-46(40)20-18-44-12-5-13-45(17-16-44)19-21-47-15-4-7-33-31-23-29(2)27-41(33,47)35-9-11-39(49)43-37(35)25-31/h8-11,22-23,30-33H,3-7,12-21,24-27H2,1-2H3,(H,42,48)(H,43,49)/t30-,31-,32+,33+,40+,41+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined				Bioorg Med Chem Lett 15: 523-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.060 BindingDB Entry DOI: 10.7270/Q2Z89BW8
					More data for this Ligand-Target Pair