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BDBM50252445 CHEMBL4070855

SMILES: C[C@H]1[C@H](COc2ccc(F)cn2)CCCN1C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=ZBVUQBPPFVOIKU-IRXDYDNUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252445   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50252445
PNG
(CHEMBL4070855)
Show SMILES C[C@H]1[C@H](COc2ccc(F)cn2)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H24FN5O2/c1-15-5-7-20(28-25-9-10-26-28)19(12-15)22(29)27-11-3-4-17(16(27)2)14-30-21-8-6-18(23)13-24-21/h5-10,12-13,16-17H,3-4,11,14H2,1-2H3/t16-,17-/m0/s1
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Article
PubMed
 0.200n/an/an/an/an/an/an/an/a



Allergan plc, 2525 Dupont Drive, Irvine, CA 92612, USA. Electronic address: yajun.zheng@allergan.com.

Curated by ChEMBL


Assay Description
Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from recombinant hum...

Bioorg Med Chem Lett 27: 2825-2837 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.079
BindingDB Entry DOI: 10.7270/Q2TF00SV
More data for this
Ligand-Target Pair