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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 4851   
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


(Mus musculus)
BDBM50199033
PNG
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of C57BL/6 mouse T cells to ICAM1-expressing TNF-alpha-activated mouse b.END3 cells by calcein-AM staining-based...


J Med Chem 53: 3814-30 (2010)


Article DOI: 10.1021/jm100348u
BindingDB Entry DOI: 10.7270/Q2KP82B4
More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM50318220
PNG
(6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of C57BL/6 mouse T cells to ICAM1-expressing TNF-alpha-activated mouse b.END3 cells by calcein-AM staining-based...


J Med Chem 53: 3814-30 (2010)


Article DOI: 10.1021/jm100348u
BindingDB Entry DOI: 10.7270/Q2KP82B4
More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM50426077
PNG
(CHEMBL2315999)
Show SMILES CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@@H]([C@@H](N[C@]1(C)C(=O)NCCC(O)=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C27H35N3O6/c1-4-18(2)25(36-17-19-11-7-5-8-12-19)22-24(30(34)35)23(20-13-9-6-10-14-20)29-27(22,3)26(33)28-16-15-21(31)32/h5-14,18,22-25,29H,4,15-17H2,1-3H3,(H,28,33)(H,31,32)/t18-,22+,23-,24-,25-,27-/m0/s1
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n/an/a 2.76E+4n/an/an/an/an/an/a



Ikerchem Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LFA-1/ICAM-1 interaction in mouse Lim51b cells assessed as PMA-induced adhesion to ICAM-1 expressing HSE cells measured per 10'5 cells ...


J Med Chem 56: 735-47 (2013)


Article DOI: 10.1021/jm3016848
BindingDB Entry DOI: 10.7270/Q2862HSF
More data for this
Ligand-Target Pair