BDBM50290307 1'-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2',3',5',6'-tetrahydro-1'H-[3,4']bipyridinyl-4'-carboxylic acid amide; hydrochloride::CHEMBL554092

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HYKVHMXJPZXOSZ-YTTGMZPUSA-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 = 50290307   

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)	BDBM50290307 (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(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)/t32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.80	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)	BDBM50290307 (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(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)/t32-/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	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