BDBM50170968 (S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cyclohexylmethyl)-5-{2-[3-(4-fluoro-piperidin-1-yl)-azetidin-1-yl]-ethyl}-piperidin-2-one::CHEMBL182600

SMILES: FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1

InChI Key: InChIKey=WNKRABSIBSPIHJ-HHHXNRCGSA-N

Data: 2 IC50  1 Kd

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 = 50170968   

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))	BDBM50170968 ((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...) Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration for Tachykinin 1 receptor of human IM9 cells				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50170968 ((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...) Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description pA2 for NK2 receptor of human bladder IM9 cells				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50170968 ((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...) Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair