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SMILES: CN1CCC(CC1)Nc1nc(N2CC3(C2)CCN(CC3)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12

InChI Key:

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

Found 1 hit for monomerid = 50590535   
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
GTPase KRas


(Homo sapiens (Human))		BDBM50590535
PNG
(CHEMBL5170321)
Show SMILES CN1CCC(CC1)Nc1nc(N2CC3(C2)CCN(CC3)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.55,.01,;.54,1.09,;1.65,-.01,;-.79,1.86,;-.79,3.4,;.54,4.17,;1.88,3.4,;1.88,1.86,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
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PC cid
PC sid
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B
More data for this
Ligand-Target Pair