BDBM50290298 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidin-4-yl)-morpholin-4-yl-methanone; hydrochloride::CHEMBL540553

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QNQBWJMVOBQXKB-QNGWXLTQSA-N

Data: 2 IC50

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 = 50290298   

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 2 receptor (Mus musculus)	BDBM50290298 ((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3/t37-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.				Bioorg Med Chem Lett 7: 2531-2536 (1997) Article DOI: 10.1016/S0960-894X(97)10013-0 BindingDB Entry DOI: 10.7270/Q2154H1T
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50290298 ((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3/t37-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP				Bioorg Med Chem Lett 7: 2531-2536 (1997) Article DOI: 10.1016/S0960-894X(97)10013-0 BindingDB Entry DOI: 10.7270/Q2154H1T
					More data for this Ligand-Target Pair