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SMILES: CNC(=O)[C@@]1(C)C[C@@H](C1)Nc1nc(OC)c2c(ccn2n1)-c1ccc2ncccc2c1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 643667   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM643667
PNG
(US20240002391, Compound 1038)
Show SMILES CNC(=O)[C@@]1(C)C[C@@H](C1)Nc1nc(OC)c2c(ccn2n1)-c1ccc2ncccc2c1 |r,wU:4.3,wD:7.9,4.4,(7.57,-2.27,;6.24,-3.04,;4.91,-2.27,;4.9,-.73,;3.57,-3.04,;3.57,-1.5,;3.17,-4.52,;1.69,-4.12,;2.08,-2.64,;.35,-4.89,;-.98,-4.12,;-.98,-2.58,;-2.32,-1.81,;-2.32,-.27,;-3.65,.5,;-3.65,-2.58,;-5.11,-2.11,;-6.02,-3.35,;-5.11,-4.6,;-3.65,-4.12,;-2.32,-4.89,;-5.59,-.64,;-7.1,-.32,;-7.57,1.14,;-6.54,2.29,;-7.02,3.75,;-5.99,4.89,;-4.48,4.57,;-4.01,3.11,;-5.04,1.97,;-4.56,.5,)|
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PC cid
PC sid
UniChem
n/an/an/an/a 0.5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair