BDBM50071486 3,5-di(trifluoromethyl)benzyl 3-(1H-3-indolyl)-2-[1-methylsulfanylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-ylcarboxamido]-(2S)-propanoate::CHEMBL72234

SMILES: CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc12

InChI Key: InChIKey=YMHCJHSBHKJKCC-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 = 50071486   

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))	BDBM50071486 (3,5-di(trifluoromethyl)benzyl 3-(1H-3-indolyl)-2-[...) Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C34H32F6N4O3S/c1-48-44-20-32(26-7-3-5-9-29(26)44)10-12-43(13-11-32)31(46)42-28(16-22-18-41-27-8-4-2-6-25(22)27)30(45)47-19-21-14-23(33(35,36)37)17-24(15-21)34(38,39)40/h2-9,14-15,17-18,28,41H,10-13,16,19-20H2,1H3,(H,42,46)/t28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+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 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))	BDBM50071486 (3,5-di(trifluoromethyl)benzyl 3-(1H-3-indolyl)-2-[...) Show SMILES CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C34H32F6N4O3S/c1-48-44-20-32(26-7-3-5-9-29(26)44)10-12-43(13-11-32)31(46)42-28(16-22-18-41-27-8-4-2-6-25(22)27)30(45)47-19-21-14-23(33(35,36)37)17-24(15-21)34(38,39)40/h2-9,14-15,17-18,28,41H,10-13,16,19-20H2,1H3,(H,42,46)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.580	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