BDBM50357014 CHEMBL1916636

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=YSACADGFTDXORF-KYJUHHDHSA-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 = 50357014   

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))	BDBM50357014 (CHEMBL1916636) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C36H36F6N4O6/c1-21(2)12-29(45-31(47)18-44-34(50)52-19-22-8-4-3-5-9-22)32(48)46-30(15-24-17-43-28-11-7-6-10-27(24)28)33(49)51-20-23-13-25(35(37,38)39)16-26(14-23)36(40,41)42/h3-11,13-14,16-17,21,29-30,43H,12,15,18-20H2,1-2H3,(H,44,50)(H,45,47)(H,46,48)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Botswana Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Eur J Med Chem 46: 5237-57 (2011) Article DOI: 10.1016/j.ejmech.2011.08.042 BindingDB Entry DOI: 10.7270/Q2ZG6SNF
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50357014 (CHEMBL1916636) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C36H36F6N4O6/c1-21(2)12-29(45-31(47)18-44-34(50)52-19-22-8-4-3-5-9-22)32(48)46-30(15-24-17-43-28-11-7-6-10-27(24)28)33(49)51-20-23-13-25(35(37,38)39)16-26(14-23)36(40,41)42/h3-11,13-14,16-17,21,29-30,43H,12,15,18-20H2,1-2H3,(H,44,50)(H,45,47)(H,46,48)/t29-,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Botswana Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 receptor expressed in CHO cells				Eur J Med Chem 46: 5237-57 (2011) Article DOI: 10.1016/j.ejmech.2011.08.042 BindingDB Entry DOI: 10.7270/Q2ZG6SNF
					More data for this Ligand-Target Pair