BDBM50108271 CHEMBL32124::N-{3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-2-dimethylamino-6,N-dimethyl-isonicotinamide

SMILES: CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UFOHFERURWEZAP-GGFUHWEBSA-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 = 50108271   

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-K receptor (Homo sapiens (Human))	BDBM50108271 (CHEMBL32124 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2N5O3/c1-23-19-25(21-31(36-23)38(2)3)32(41)39(4)22-30(37-43-5)27(24-11-12-28(34)29(35)20-24)13-16-40-17-14-33(42,15-18-40)26-9-7-6-8-10-26/h6-12,19-21,27,42H,13-18,22H2,1-5H3/b37-30+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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
Substance-P receptor (Homo sapiens (Human))	BDBM50108271 (CHEMBL32124 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2N5O3/c1-23-19-25(21-31(36-23)38(2)3)32(41)39(4)22-30(37-43-5)27(24-11-12-28(34)29(35)20-24)13-16-40-17-14-33(42,15-18-40)26-9-7-6-8-10-26/h6-12,19-21,27,42H,13-18,22H2,1-5H3/b37-30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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