BDBM50030333 (3S,6S,7S)-3-(2-Methoxy-phenyl)-7-phenyl-1,8-diaza-spiro[5.5]undecane::CHEMBL332644

SMILES: COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1

InChI Key: InChIKey=BLYHUYRAYMAUST-BVYCBKJFSA-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 = 50030333   

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))	BDBM50030333 ((3S,6S,7S)-3-(2-Methoxy-phenyl)-7-phenyl-1,8-diaza...) Show SMILES COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1 Show InChI InChI=1S/C22H28N2O/c1-25-20-11-6-5-10-19(20)18-12-14-22(24-16-18)13-7-15-23-21(22)17-8-3-2-4-9-17/h2-6,8-11,18,21,23-24H,7,12-16H2,1H3/t18-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P (NK-1) receptor in human IM-9 cell using [125I]-BH-SP				J Med Chem 37: 4263-6 (1995) BindingDB Entry DOI: 10.7270/Q24J0D44
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50030333 ((3S,6S,7S)-3-(2-Methoxy-phenyl)-7-phenyl-1,8-diaza...) Show SMILES COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1 Show InChI InChI=1S/C22H28N2O/c1-25-20-11-6-5-10-19(20)18-12-14-22(24-16-18)13-7-15-23-21(22)17-8-3-2-4-9-17/h2-6,8-11,18,21,23-24H,7,12-16H2,1H3/t18-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.				J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z
					More data for this Ligand-Target Pair