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SMILES: CCCCNS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O

InChI Key: InChIKey=JFBMULGNUUMGLV-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288135   
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-IIb/beta-3


(Homo sapiens (Human))		BDBM50288135
PNG
((S)-2-aminosulfonylbutylamino-3-{[3-oxo-2-(2-piper...)
Show SMILES CCCCNS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O
Show InChI InChI=1S/C23H35N5O6S/c1-2-3-9-26-35(33,34)27-20(23(31)32)14-25-21(29)17-4-5-18-15-28(22(30)19(18)13-17)12-8-16-6-10-24-11-7-16/h4-5,13,16,20,24,26-27H,2-3,6-12,14-15H2,1H3,(H,25,29)(H,31,32)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
n/an/an/a 21n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.

Bioorg Med Chem Lett 6: 2519-2524 (1996)


Article DOI: 10.1016/0960-894X(96)00473-8
BindingDB Entry DOI: 10.7270/Q2SB45Q6
More data for this
Ligand-Target Pair