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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1' and Ligand = 'BDBM50131109'   
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
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50131109
PNG
((S)-3-[2-((S)-2-{2-[(2S,3R)-2-((S)-2-Amino-3-methy...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C34H58N12O14/c1-15(2)25(35)30(56)45-26(17(4)48)31(57)40-13-22(49)42-18(7-5-9-38-34(36)37)27(53)39-12-23(50)43-19(11-24(51)52)28(54)44-20(14-47)32(58)46-10-6-8-21(46)29(55)41-16(3)33(59)60/h15-21,25-26,47-48H,5-14,35H2,1-4H3,(H,39,53)(H,40,57)(H,41,55)(H,42,49)(H,43,50)(H,44,54)(H,45,56)(H,51,52)(H,59,60)(H4,36,37,38)/t16-,17+,18-,19-,20-,21-,25-,26-/m0/s1
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PC cid
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Similars
PubMed
n/an/a 1.10E+6n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesylation of v-Ki-Ras by bovine farnesyl transferase

Bioorg Med Chem Lett 13: 2583-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9B5J
More data for this
Ligand-Target Pair