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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM317561'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 1


(Homo sapiens (Human))
BDBM317561
PNG
(3-methoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- t...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H23N7O2/c1-15-7-8-17(27-21-20(31-2)16(13-23)9-10-24-21)14-28(15)22(30)18-5-3-4-6-19(18)29-25-11-12-26-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3,(H,24,27)/t15-,17-/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 267n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

More data for this
Ligand-Target Pair