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SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNC1=NCCCN1)CC2)C(O)=O

InChI Key: InChIKey=OGPDDASHGHQOEW-AHRWMNNESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138307   
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
Integrin alpha-V/beta-1


(Homo sapiens (Human))		BDBM50138307
PNG
((S)-3-({8-[(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNC1=NCCCN1)CC2)C(O)=O |wU:12.38,t:18,29,(17.72,-7.89,;17.73,-6.34,;19.08,-5.57,;19.08,-4.03,;20.41,-3.26,;17.75,-3.26,;16.4,-4.02,;15.07,-3.23,;16.4,-5.56,;17.75,-1.71,;19.09,-2.5,;16.42,-2.49,;17.77,-.17,;16.44,.6,;15.09,-.17,;13.76,.6,;13.77,2.14,;12.42,-.16,;12.26,-1.69,;10.76,-2,;9.99,-.66,;11.02,.47,;9.22,.67,;7.69,.68,;6.92,-.64,;5.38,-.64,;4.61,.69,;3.07,.69,;2.3,2.03,;.76,2.03,;-.02,.69,;.76,-.64,;2.3,-.64,;7.69,-1.97,;9.21,-1.99,;19.11,.58,;20.44,-.17,;19.11,2.13,)|
Show InChI InChI=1S/C26H37N5O6S/c1-16-11-17(2)22(18(3)12-16)38(35,36)21(24(33)34)15-29-23(32)20-13-26(37-31-20)7-5-19(6-8-26)14-30-25-27-9-4-10-28-25/h11-12,19,21H,4-10,13-15H2,1-3H3,(H,29,32)(H,33,34)(H2,27,28,30)/t19?,21-,26?/m0/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 160n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...

Bioorg Med Chem Lett 14: 383-7 (2003)


BindingDB Entry DOI: 10.7270/Q2571BFX
More data for this
Ligand-Target Pair