null

SMILES: CO\N=C(/CN(C)C(=O)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=SNOAWNVDDANLMI-JSKGAOECSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50108258   

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))	BDBM50108258 (CHEMBL285986 | {3-(3,4-Dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H33Cl2F6N3O4/c1-43(30(45)48-25-18-23(32(36,37)38)17-24(19-25)33(39,40)41)20-29(42-47-2)26(21-8-9-27(34)28(35)16-21)10-13-44-14-11-31(46,12-15-44)22-6-4-3-5-7-22/h3-9,16-19,26,46H,10-15,20H2,1-2H3/b42-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6	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 Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108258 (CHEMBL285986 | {3-(3,4-Dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H33Cl2F6N3O4/c1-43(30(45)48-25-18-23(32(36,37)38)17-24(19-25)33(39,40)41)20-29(42-47-2)26(21-8-9-27(34)28(35)16-21)10-13-44-14-11-31(46,12-15-44)22-6-4-3-5-7-22/h3-9,16-19,26,46H,10-15,20H2,1-2H3/b42-29+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	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 test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair