BDBM50318921 2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorophenyl)-6-((R)-2-(hydroxymethyl)piperidin-1-yl)pyridin-3-yl)-N,2-dimethylpropanamide::CHEMBL1084435

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@@H]1CO

InChI Key: InChIKey=OFXGPUCSXYQAEH-OAQYLSRUSA-N

Data: 2 KI

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 = 50318921   

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))	BDBM50318921 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C30H30ClF6N3O2/c1-28(2,18-12-19(29(32,33)34)14-20(13-18)30(35,36)37)27(42)39(3)25-16-38-26(40-11-7-6-8-21(40)17-41)15-23(25)22-9-4-5-10-24(22)31/h4-5,9-10,12-16,21,41H,6-8,11,17H2,1-3H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50318921 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC[C@@H]1CO |r| Show InChI InChI=1S/C30H30ClF6N3O2/c1-28(2,18-12-19(29(32,33)34)14-20(13-18)30(35,36)37)27(42)39(3)25-16-38-26(40-11-7-6-8-21(40)17-41)15-23(25)22-9-4-5-10-24(22)31/h4-5,9-10,12-16,21,41H,6-8,11,17H2,1-3H3/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells				Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK
					More data for this Ligand-Target Pair