null

SMILES: NC(=O)CN[C@@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H](CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=OXQZXDGLSIMETJ-UHSQPCAPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50093091   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50093091 (2-[(1R,2R)-1-(3,5-Bis-trifluoromethyl-benzyloxymet...) Show SMILES NC(=O)CN[C@@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H](CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H35Cl2F6N3O3/c34-27-7-6-22(16-28(27)35)26(8-11-44-12-9-31(46,10-13-44)23-4-2-1-3-5-23)29(43-18-30(42)45)20-47-19-21-14-24(32(36,37)38)17-25(15-21)33(39,40)41/h1-7,14-17,26,29,43,46H,8-13,18-20H2,(H2,42,45)/t26-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 10: 2329-32 (2001) BindingDB Entry DOI: 10.7270/Q21Z43P9
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50093091 (2-[(1R,2R)-1-(3,5-Bis-trifluoromethyl-benzyloxymet...) Show SMILES NC(=O)CN[C@@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H](CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H35Cl2F6N3O3/c34-27-7-6-22(16-28(27)35)26(8-11-44-12-9-31(46,10-13-44)23-4-2-1-3-5-23)29(43-18-30(42)45)20-47-19-21-14-24(32(36,37)38)17-25(15-21)33(39,40)41/h1-7,14-17,26,29,43,46H,8-13,18-20H2,(H2,42,45)/t26-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligand				Bioorg Med Chem Lett 10: 2329-32 (2001) BindingDB Entry DOI: 10.7270/Q21Z43P9
					More data for this Ligand-Target Pair