BDBM50415266 CHEMBL591076

SMILES: Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=NUPNDTJATGHILB-VQCQRNETSA-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 = 50415266   

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))	BDBM50415266 (CHEMBL591076) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F7N4O/c1-14-9-18(25)3-4-19(14)20-13-32-6-8-34(20)22(36)35-7-2-5-33-21(35)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20-21,32-33H,2,5-8,13H2,1H3/t20-,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	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50415266 (CHEMBL591076) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F7N4O/c1-14-9-18(25)3-4-19(14)20-13-32-6-8-34(20)22(36)35-7-2-5-33-21(35)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20-21,32-33H,2,5-8,13H2,1H3/t20-,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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair