BDBM50281981 (2S,3S)-2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane::CHEMBL30139

SMILES: Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=MCHFVMZJGMVKRA-NSOVKSMOSA-N

Data: 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 2 hits for monomerid = 50281981   

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))	BDBM50281981 ((2S,3S)-2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-...) Show SMILES Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 |wD:14.16,7.6,(4.44,4.25,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,;.45,3.47,;1.77,4.24,)| Show InChI InChI=1S/C28H31NO/c1-21-12-14-22(15-13-21)20-30-28-25-16-18-29(19-17-25)27(28)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3/t27-,28-/m0/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	288	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 CHO-expressed hNK1 using [125I]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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50281981 ((2S,3S)-2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-...) Show SMILES Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 |wD:14.16,7.6,(4.44,4.25,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,;.45,3.47,;1.77,4.24,)| Show InChI InChI=1S/C28H31NO/c1-21-12-14-22(15-13-21)20-30-28-25-16-18-29(19-17-25)27(28)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells				Bioorg Med Chem Lett 3: 1361-1366 (1993) Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R
					More data for this Ligand-Target Pair