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SMILES: C[C@@H](O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncncc1-c1ccccc1)C(O)=O

InChI Key: InChIKey=NZXUOOZIPKZQIK-RLWLMLJZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465292   
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-5/beta-6


(Homo sapiens (Human))		BDBM465292
PNG
(US10793564, Compound 81)
Show SMILES C[C@@H](O)CN(CCCCc1ccc2CCCNc2n1)CC[C@H](Nc1ncncc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H38N6O3/c1-21(36)19-35(16-6-5-11-24-13-12-23-10-7-15-31-27(23)33-24)17-14-26(29(37)38)34-28-25(18-30-20-32-28)22-8-3-2-4-9-22/h2-4,8-9,12-13,18,20-21,26,36H,5-7,10-11,14-17,19H2,1H3,(H,31,33)(H,37,38)(H,30,32,34)/t21-,26+/m1/s1
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US Patent
n/an/a<50n/an/an/an/an/an/a



PLIANT THERAPEUTICS, INC.

US Patent


Assay Description
Microplates were coated with recombinant human integrin αVβ6 (2 μg/mL) in PBS (100 μL/well 25° C., overnight). The coating soluti...

US Patent US10793564 (2020)


BindingDB Entry DOI: 10.7270/Q2J969FH
More data for this
Ligand-Target Pair