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PubMed code 15686945

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161080
PNG
((S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-((E)-3-pyridin-4...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CC=Cc2ccncc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C31H36N4O3/c1-22(2)19-28-31(38)35(18-14-29(36)34(28)17-6-7-23-12-15-33-16-13-23)27(30(37)32-3)21-24-10-11-25-8-4-5-9-26(25)20-24/h4-13,15-16,20,22,27-28H,14,17-19,21H2,1-3H3,(H,32,37)/t27-,28-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161067
PNG
((2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHY...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50123241
PNG
((S)-2-[(3S,5R)-3-Isobutyl-5-methyl-2-oxo-4-(2-quin...)
Show SMILES CC(C)C[C@@H]1N([C@H](C)CCN([C@@H](Cc2ccc3ccccc3c2)C(N)=O)C1=O)C(=O)Cc1cnc2ccccc2c1
Show InChI InChI=1S/C34H38N4O3/c1-22(2)16-31-34(41)37(30(33(35)40)19-24-12-13-26-8-4-5-9-27(26)17-24)15-14-23(3)38(31)32(39)20-25-18-28-10-6-7-11-29(28)36-21-25/h4-13,17-18,21-23,30-31H,14-16,19-20H2,1-3H3,(H2,35,40)/t23-,30+,31+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161072
PNG
((S)-2-((S)-3-Isobutyl-2,5-dioxo-4-quinolin-6-yl-[1...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N([C@@H](CC(C)C)C1=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C32H34N4O3/c1-21(2)17-29-32(39)35(16-14-30(37)36(29)26-12-13-27-25(20-26)9-6-15-34-27)28(31(38)33-3)19-22-10-11-23-7-4-5-8-24(23)18-22/h4-13,15,18,20-21,28-29H,14,16-17,19H2,1-3H3,(H,33,38)/t28-,29-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161065
PNG
((S)-2-((R)-3-Isobutyl-2,5-dioxo-4-quinolin-3-ylmet...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@H](CC(C)C)C1=O
Show InChI InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30+/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161071
PNG
((S)-2-[(S)-4-(4-Dimethylamino-benzyl)-3-isobutyl-2...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccc(cc2)N(C)C)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C32H40N4O3/c1-22(2)18-29-32(39)35(17-16-30(37)36(29)21-23-11-14-27(15-12-23)34(4)5)28(31(38)33-3)20-24-10-13-25-8-6-7-9-26(25)19-24/h6-15,19,22,28-29H,16-18,20-21H2,1-5H3,(H,33,38)/t28-,29-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161076
PNG
((S)-2-[(S)-3-Isobutyl-4-(3-methyl-quinolin-5-ylmet...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CCc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C34H38N4O3/c1-23(2)18-31-34(41)38(30(33(40)35-3)21-24-12-13-26-8-4-5-9-27(26)19-24)17-15-32(39)37(31)16-14-25-20-28-10-6-7-11-29(28)36-22-25/h4-13,19-20,22-23,30-31H,14-18,21H2,1-3H3,(H,35,40)/t30-,31-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161082
PNG
((S)-2-[(S)-4-(4-Hydroxy-3-methoxy-benzyl)-3-isobut...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccc(O)c(OC)c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C31H37N3O5/c1-20(2)15-26-31(38)33(14-13-29(36)34(26)19-22-10-12-27(35)28(18-22)39-4)25(30(37)32-3)17-21-9-11-23-7-5-6-8-24(23)16-21/h5-12,16,18,20,25-26,35H,13-15,17,19H2,1-4H3,(H,32,37)/t25-,26-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161078
PNG
((S)-2-[(S)-4-(3-Hydroxy-benzyl)-3-isobutyl-2,5-dio...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cccc(O)c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C30H35N3O4/c1-20(2)15-27-30(37)32(14-13-28(35)33(27)19-22-7-6-10-25(34)17-22)26(29(36)31-3)18-21-11-12-23-8-4-5-9-24(23)16-21/h4-12,16-17,20,26-27,34H,13-15,18-19H2,1-3H3,(H,31,36)/t26-,27-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161068
PNG
((S)-2-((S)-4-Benzyl-3-isobutyl-2,5-dioxo-[1,4]diaz...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C30H35N3O3/c1-21(2)17-27-30(36)32(16-15-28(34)33(27)20-22-9-5-4-6-10-22)26(29(35)31-3)19-23-13-14-24-11-7-8-12-25(24)18-23/h4-14,18,21,26-27H,15-17,19-20H2,1-3H3,(H,31,35)/t26-,27-/m0/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161069
PNG
((S)-2-[(S)-4-(4-Bromo-benzyl)-3-isobutyl-2,5-dioxo...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccc(Br)cc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C30H34BrN3O3/c1-20(2)16-27-30(37)33(15-14-28(35)34(27)19-21-9-12-25(31)13-10-21)26(29(36)32-3)18-22-8-11-23-6-4-5-7-24(23)17-22/h4-13,17,20,26-27H,14-16,18-19H2,1-3H3,(H,32,36)/t26-,27-/m0/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161075
PNG
((S)-2-[(S)-4-(4-Bromo-cyclohexa-1,3-dienylmethyl)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CC(=O)N(Cc2ccc(Br)cc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C29H32BrN3O3/c1-19(2)14-26-29(36)33(18-27(34)32(26)17-20-9-12-24(30)13-10-20)25(28(35)31-3)16-21-8-11-22-6-4-5-7-23(22)15-21/h4-13,15,19,25-26H,14,16-18H2,1-3H3,(H,31,35)/t25-,26-/m0/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161073
PNG
((S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-(pyridin-4-ylcar...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CC(=O)Nc2ccncc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C30H35N5O4/c1-20(2)16-26-30(39)34(15-12-28(37)35(26)19-27(36)33-24-10-13-32-14-11-24)25(29(38)31-3)18-21-8-9-22-6-4-5-7-23(22)17-21/h4-11,13-14,17,20,25-26H,12,15-16,18-19H2,1-3H3,(H,31,38)(H,32,33,36)/t25-,26-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161070
PNG
((R)-2-((R)-3-Isobutyl-2,5-dioxo-4-quinolin-3-ylmet...)
Show SMILES CNC(=O)[C@@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@H](CC(C)C)C1=O
Show InChI InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161074
PNG
((R)-2-((S)-3-Isobutyl-2,5-dioxo-4-quinolin-3-ylmet...)
Show SMILES CNC(=O)[C@@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161077
PNG
((S)-2-[(S)-4-(3-Benzyloxy-benzyl)-3-isobutyl-2,5-d...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cccc(OCc3ccccc3)c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C37H41N3O4/c1-26(2)20-34-37(43)39(33(36(42)38-3)23-28-16-17-30-13-7-8-14-31(30)21-28)19-18-35(41)40(34)24-29-12-9-15-32(22-29)44-25-27-10-5-4-6-11-27/h4-17,21-22,26,33-34H,18-20,23-25H2,1-3H3,(H,38,42)/t33-,34-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161066
PNG
((S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-(4-pyridin-3-yl-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CC(=O)N(Cc2ccc(cc2)-c2cccnc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C34H36N4O3/c1-23(2)17-31-34(41)38(30(33(40)35-3)19-25-12-15-26-7-4-5-8-28(26)18-25)22-32(39)37(31)21-24-10-13-27(14-11-24)29-9-6-16-36-20-29/h4-16,18,20,23,30-31H,17,19,21-22H2,1-3H3,(H,35,40)/t30-,31-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161079
PNG
((S)-2-((S)-3-Isobutyl-2,5-dioxo-4-quinolin-6-ylmet...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CC(=O)N(Cc2ccc3ncccc3c2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C32H34N4O3/c1-21(2)15-29-32(39)36(20-30(37)35(29)19-23-11-13-27-26(17-23)9-6-14-34-27)28(31(38)33-3)18-22-10-12-24-7-4-5-8-25(24)16-22/h4-14,16-17,21,28-29H,15,18-20H2,1-3H3,(H,33,38)/t28-,29-/m0/s1
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n/an/a 2.44E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50161081
PNG
((S)-2-((S)-3-Isobutyl-2,5-dioxo-4-pyridin-4-ylmeth...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccncc2)[C@@H](CC(C)C)C1=O
Show InChI InChI=1S/C29H34N4O3/c1-20(2)16-26-29(36)32(15-12-27(34)33(26)19-21-10-13-31-14-11-21)25(28(35)30-3)18-22-8-9-23-6-4-5-7-24(23)17-22/h4-11,13-14,17,20,25-26H,12,15-16,18-19H2,1-3H3,(H,30,35)/t25-,26-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)


Bioorg Med Chem Lett 15: 1217-20 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%