BDBM50398923 CHEMBL2178789

SMILES: COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24

InChI Key: InChIKey=SWQCJRBNEYNZAJ-OGMWUDCNSA-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 = 50398923   

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))	BDBM50398923 (CHEMBL2178789) Show SMILES COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37(3)15-8-6-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-4)11-10-27(22-38)31(32)36/h10-13,26,28,30,39H,5-9,14-25H2,1-4H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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))	BDBM50398923 (CHEMBL2178789) Show SMILES COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37(3)15-8-6-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-4)11-10-27(22-38)31(32)36/h10-13,26,28,30,39H,5-9,14-25H2,1-4H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33	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