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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/beta-2' and Ligand = 'BDBM50538007'   
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-L/beta-2


(Homo sapiens (Human))		BDBM50538007
PNG
(CHEMBL4647684)
Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CCC1C[C@@H](O)CC(=O)N1Cc1ccc2c(CO)c(OC)ccc2c1)OC(=O)[C@@H](C)CC |r,c:6,9|
Show InChI InChI=1S/C37H49NO6/c1-6-23(3)37(42)44-34-16-22(2)15-27-9-7-24(4)30(36(27)34)13-11-28-18-29(40)19-35(41)38(28)20-25-8-12-31-26(17-25)10-14-33(43-5)32(31)21-39/h7-10,12,14-15,17,22-24,28-30,34,36,39-40H,6,11,13,16,18-21H2,1-5H3/t22-,23-,24-,28?,29+,30-,34-,36-/m0/s1
PDB

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PC cid
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Article
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n/an/a 200n/an/an/an/an/an/a



Pliant Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphaL beta2 assessed as reduction in integrin alphaL beta2/ICAM1 protein-protein interaction by ELISA

J Med Chem 63: 5675-5696 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01869
BindingDB Entry DOI: 10.7270/Q2DR302Z
More data for this
Ligand-Target Pair