BDBM50071479 1'N-[1-benzyl(methyl)carbamoyl-3-phenyl-(1S)-propyl]-1-methylsulfanylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL70461

SMILES: CSN1CC2(CCN(CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12

InChI Key: InChIKey=LVEVJTCPEKIPCM-NDEPHWFRSA-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 = 50071479   

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 (Homo sapiens (Human))	BDBM50071479 (1'N-[1-benzyl(methyl)carbamoyl-3-phenyl-(1S)-propy...) Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C32H38N4O2S/c1-34(23-26-13-7-4-8-14-26)30(37)28(18-17-25-11-5-3-6-12-25)33-31(38)35-21-19-32(20-22-35)24-36(39-2)29-16-10-9-15-27(29)32/h3-16,28H,17-24H2,1-2H3,(H,33,38)/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined				Bioorg Med Chem Lett 8: 2259-62 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XTN
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50071479 (1'N-[1-benzyl(methyl)carbamoyl-3-phenyl-(1S)-propy...) Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C32H38N4O2S/c1-34(23-26-13-7-4-8-14-26)30(37)28(18-17-25-11-5-3-6-12-25)33-31(38)35-21-19-32(20-22-35)24-36(39-2)29-16-10-9-15-27(29)32/h3-16,28H,17-24H2,1-2H3,(H,33,38)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined				Bioorg Med Chem Lett 8: 2259-62 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XTN
					More data for this Ligand-Target Pair