BDBM50289180 1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dimethyl-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide::CHEMBL176951

SMILES: COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CDLIUHVXEYVLGX-UHFFFAOYSA-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 = 50289180   

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))	BDBM50289180 (1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dim...) Show SMILES COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O3/c1-23-19-25(20-24(2)30(23)42-3)31(40)39-18-12-33(22-39,27-9-10-28(35)29(36)21-27)11-15-38-16-13-34(14-17-38,32(37)41)26-7-5-4-6-8-26/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP				Bioorg Med Chem Lett 6: 951-956 (1996) Article DOI: 10.1016/0960-894X(96)00148-5 BindingDB Entry DOI: 10.7270/Q2GM8794
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50289180 (1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dim...) Show SMILES COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O3/c1-23-19-25(20-24(2)30(23)42-3)31(40)39-18-12-33(22-39,27-9-10-28(35)29(36)21-27)11-15-38-16-13-34(14-17-38,32(37)41)26-7-5-4-6-8-26/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA				Bioorg Med Chem Lett 6: 951-956 (1996) Article DOI: 10.1016/0960-894X(96)00148-5 BindingDB Entry DOI: 10.7270/Q2GM8794
					More data for this Ligand-Target Pair