BDBM50225898 (2-Methoxy-benzyl)-((2S,3S,3aR,6aS)-2-phenyl-octahydro-cyclopenta[b]pyrrol-3-yl)-amine::(2S,3S,3aR,6aS)-N-(2-methoxybenzyl)-2-phenyl-octahydrocyclopenta[b]pyrrol-3-amine::CHEMBL55591

SMILES: COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2N[C@H]1c1ccccc1

InChI Key: InChIKey=NDMOYPJHBNNRIM-ZFMNYDKASA-N

Data: 1 KI  2 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 3 hits for monomerid = 50225898   

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))	BDBM50225898 ((2-Methoxy-benzyl)-((2S,3S,3aR,6aS)-2-phenyl-octah...) Show SMILES COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2N[C@H]1c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-24-19-13-6-5-10-16(19)14-22-21-17-11-7-12-18(17)23-20(21)15-8-3-2-4-9-15/h2-6,8-10,13,17-18,20-23H,7,11-12,14H2,1H3/t17-,18+,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards human NK-1 receptor in IM-9 cells using [3H]-SP of substance P antagonist				Bioorg Med Chem Lett 4: 1865-1868 (1994) Article DOI: 10.1016/S0960-894X(01)80386-3 BindingDB Entry DOI: 10.7270/Q2X34XD3
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50225898 ((2-Methoxy-benzyl)-((2S,3S,3aR,6aS)-2-phenyl-octah...) Show SMILES COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2N[C@H]1c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-24-19-13-6-5-10-16(19)14-22-21-17-11-7-12-18(17)23-20(21)15-8-3-2-4-9-15/h2-6,8-10,13,17-18,20-23H,7,11-12,14H2,1H3/t17-,18+,20+,21+/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	2.40	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 [3H]SP as ligand.				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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50225898 ((2-Methoxy-benzyl)-((2S,3S,3aR,6aS)-2-phenyl-octah...) Show SMILES COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2N[C@H]1c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-24-19-13-6-5-10-16(19)14-22-21-17-11-7-12-18(17)23-20(21)15-8-3-2-4-9-15/h2-6,8-10,13,17-18,20-23H,7,11-12,14H2,1H3/t17-,18+,20+,21+/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells				Bioorg Med Chem Lett 17: 6887-90 (2007) Article DOI: 10.1016/j.bmcl.2007.10.010 BindingDB Entry DOI: 10.7270/Q2GQ6XGX
					More data for this Ligand-Target Pair