BDBM50398928 CHEMBL2178784

SMILES: COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24

InChI Key: InChIKey=LUJPPSLEDAYBGR-WDOOIYNRSA-N

Data: 1 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 2 hits for monomerid = 50398928   

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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398928 (CHEMBL2178784) Show SMILES COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21| Show InChI InChI=1S/C34H50N2O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-13-6-4-5-7-14-36-15-12-34-11-10-26(37)16-28(34)39-30-27(38-3)9-8-25(20-36)29(30)34/h8-11,24,26,28,35,37H,4-7,12-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398928 (CHEMBL2178784) Show SMILES COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21| Show InChI InChI=1S/C34H50N2O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-13-6-4-5-7-14-36-15-12-34-11-10-26(37)16-28(34)39-30-27(38-3)9-8-25(20-36)29(30)34/h8-11,24,26,28,35,37H,4-7,12-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair