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BDBM357274 2-(((1s,4s)-4-((4-(5- fluoropyridin-3-yl)-5- (methylthio)-3-phenyl-1H- pyrazol-1- yl)methyl)cyclohexyl) methoxy)acetic acid::US10214518, Compound 135

SMILES: CSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cncc(F)c1

InChI Key: InChIKey=KAHKWAPEWNQHDG-HDICACEKSA-N

Data: 1 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 1 hit for monomerid = 357274   
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
Prion protein


(Homo sapiens (Human))		BDBM357274
PNG
(2-(((1s,4s)-4-((4-(5- fluoropyridin-3-yl)-5- (meth...)
Show SMILES CSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cncc(F)c1 |r,wU:8.8,11.12,(-2.88,4.75,;-3.97,3.66,;-3.57,2.18,;-4.65,1.08,;-3.94,-.29,;-2.42,-.04,;-2.2,1.49,;-.86,2.26,;.47,1.49,;.47,-.05,;1.8,-.82,;3.14,-.05,;4.47,-.82,;5.81,-.05,;7.14,-.82,;8.47,-.05,;9.81,-.82,;8.47,1.49,;3.14,1.49,;1.8,2.26,;-4.34,-1.78,;-5.83,-2.18,;-6.23,-3.66,;-5.14,-4.75,;-3.65,-4.35,;-3.25,-2.87,;-6.14,1.48,;-6.54,2.96,;-8.03,3.36,;-9.12,2.27,;-8.72,.79,;-9.81,-.3,;-7.23,.39,)|
Show InChI InChI=1S/C25H28FN3O3S/c1-33-25-23(20-11-21(26)13-27-12-20)24(19-5-3-2-4-6-19)28-29(25)14-17-7-9-18(10-8-17)15-32-16-22(30)31/h2-6,11-13,17-18H,7-10,14-16H2,1H3,(H,30,31)/t17-,18+
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US Patent
n/an/a 220n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recov...

US Patent US10214518 (2019)


BindingDB Entry DOI: 10.7270/Q2T155XG
More data for this
Ligand-Target Pair