BDBM50346327 (S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-N-(3,5-bis(trifluoromethyl)benzyl)acetamide::CHEMBL1782138

SMILES: CC(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O

InChI Key: InChIKey=XQCHBKZHGOEFPQ-IBGZPJMESA-N

Data: 1 KI  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 2 hits for monomerid = 50346327   

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))	BDBM50346327 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H21F6N3O3/c1-13(33)31-19-8-15-4-2-3-5-16(15)11-32(21(19)35)12-20(34)30-10-14-6-17(22(24,25)26)9-18(7-14)23(27,28)29/h2-7,9,19H,8,10-12H2,1H3,(H,30,34)(H,31,33)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]SP from human recombinant NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting				J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50346327 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H21F6N3O3/c1-13(33)31-19-8-15-4-2-3-5-16(15)11-32(21(19)35)12-20(34)30-10-14-6-17(22(24,25)26)9-18(7-14)23(27,28)29/h2-7,9,19H,8,10-12H2,1H3,(H,30,34)(H,31,33)/t19-/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	n/a	631	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines...				J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1
					More data for this Ligand-Target Pair