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SMILES: COC(=O)C[C@H](N(C)C(=O)CCCCc1nc2NCCCc2cc1NC(C)=O)c1ccc(OC)nc1

InChI Key: InChIKey=OJTBKASAMAYZRX-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50142338   
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-3


(Homo sapiens (Human))		BDBM50142338
PNG
((S)-3-{[5-(3-Acetylamino-5,6,7,8-tetrahydro-[1,8]n...)
Show SMILES COC(=O)C[C@H](N(C)C(=O)CCCCc1nc2NCCCc2cc1NC(C)=O)c1ccc(OC)nc1
Show InChI InChI=1S/C26H35N5O5/c1-17(32)29-21-14-18-8-7-13-27-26(18)30-20(21)9-5-6-10-24(33)31(2)22(15-25(34)36-4)19-11-12-23(35-3)28-16-19/h11-12,14,16,22H,5-10,13,15H2,1-4H3,(H,27,30)(H,29,32)/t22-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]L-775,219 from human recombinant alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 1049-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.036
BindingDB Entry DOI: 10.7270/Q2R49RZW
More data for this
Ligand-Target Pair