BDBM50286412 (3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-2,3,5a,6,11,11a,2',3',5'a,6',11',11'a-dodecahydro-[10b,10'b]bi[pyrazino[1',2':1,5]pyrrolo[2,3-b]indolyl]-1,4,1',4'-tetraone::CHEMBL124066

SMILES: O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1CC1([C@@H]2Nc2ccccc12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O

InChI Key: InChIKey=ZEANERNKMXBETI-SWZCOEHCSA-N

Data: 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 1 hit for monomerid = 50286412   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50286412 ((3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-2,3,5a,...) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1CC1([C@@H]2Nc2ccccc12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O Show InChI InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39?,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair