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SMILES: CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(=O)OC(C)(C)C)cc1

InChI Key: InChIKey=JNYMFWUBRIAGIH-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123479   
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
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM123479
PNG
(US8748435, 4)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C30H42N4O3/c1-7-26-25(27-31-21(2)19-22(3)34(27)32-26)20-24-12-10-23(11-13-24)9-8-14-30(36)15-17-33(18-16-30)28(35)37-29(4,5)6/h10-13,19,36H,7-9,14-18,20H2,1-6H3
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...

US Patent US8748435 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XDK
More data for this
Ligand-Target Pair