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3 similar compounds to monomer 50157365

Compile data set for download or QSAR
Wt: 490.4
BDBM50157376
Wt: 472.5
BDBM50157387
Wt: 486.5
BDBM50157415

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50157376,50157387,50157415   
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
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50157376
PNG
((2S,4R)-4-Hydroxy-1-{4-[4-(2-methoxy-phenylsulfany...)
Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1C[C@H](O)C[C@H]1C(O)=O
Show InChI InChI=1S/C24H21F3N2O4S/c1-33-19-4-2-3-5-21(19)34-20-7-6-14(10-17(20)24(25,26)27)15-8-9-28-22(11-15)29-13-16(30)12-18(29)23(31)32/h2-11,16,18,30H,12-13H2,1H3,(H,31,32)/t16-,18+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 214n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex


Bioorg Med Chem Lett 15: 195-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50157415
PNG
((S)-1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluo...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C26H25F3N2O2S/c1-16(2)19-6-3-4-8-22(19)34-23-10-9-17(14-20(23)26(27,28)29)18-11-12-30-24(15-18)31-13-5-7-21(31)25(32)33/h3-4,6,8-12,14-16,21H,5,7,13H2,1-2H3,(H,32,33)/t21-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex


Bioorg Med Chem Lett 15: 195-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50157387
PNG
(((1R,2S)-1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-tr...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1CO
Show InChI InChI=1S/C26H27F3N2OS/c1-17(2)21-7-3-4-8-23(21)33-24-10-9-18(14-22(24)26(27,28)29)19-11-12-30-25(15-19)31-13-5-6-20(31)16-32/h3-4,7-12,14-15,17,20,32H,5-6,13,16H2,1-2H3/t20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 264n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex


Bioorg Med Chem Lett 15: 195-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair