Found 40 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333919
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)o1 |r| Show InChI InChI=1S/C27H22Cl2N2O8S/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50324822
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r| Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333915
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccc3o2)C(O)=O)nn1 |r| Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-17(31-32-34)11-20(27(37)38)30-25(35)23-19(28)9-16-12-33(8-7-18(16)24(23)29)26(36)22-10-15-5-3-4-6-21(15)39-22/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3,(H,30,35)(H,37,38)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333917
((S)-2-(5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-c...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccn3n2)C(O)=O)nn1 |r| Show InChI InChI=1S/C26H25Cl2N7O4/c1-14(2)35-13-16(30-32-35)10-21(26(38)39)29-24(36)22-19(27)9-15-12-33(8-6-18(15)23(22)28)25(37)20-11-17-5-3-4-7-34(17)31-20/h3-5,7,9,11,13-14,21H,6,8,10,12H2,1-2H3,(H,29,36)(H,38,39)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333916
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1 |r| Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-18(31-32-34)11-21(27(37)38)30-25(35)23-20(28)9-17-12-33(7-5-19(17)24(23)29)26(36)16-4-3-15-6-8-39-22(15)10-16/h3-4,6,8-10,13-14,21H,5,7,11-12H2,1-2H3,(H,30,35)(H,37,38)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50324812
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333904
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1ccc2n(cc(C(=O)NC[C@H](NC(=O)c3c(Cl)cc4CN(CCc4c3Cl)C(=O)c3ccc(Cl)cc3)C(O)=O)c2c1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-25-21(11-16)22(15-38(25)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333918
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CS(=O)(=O)c1ncc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)[nH]1 |r| Show InChI InChI=1S/C26H22Cl2N4O7S/c1-40(37,38)26-29-11-16(30-26)10-19(25(35)36)31-23(33)21-18(27)8-15-12-32(6-4-17(15)22(21)28)24(34)14-3-2-13-5-7-39-20(13)9-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3,(H,29,30)(H,31,33)(H,35,36)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333905
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1ccc2c(cn(c2c1)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-21-22(15-38(25(21)11-16)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333911
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)nn1 |r| Show InChI InChI=1S/C25H24Cl3N5O4/c1-13(2)33-12-17(30-31-33)10-20(25(36)37)29-23(34)21-19(27)9-15-11-32(8-7-18(15)22(21)28)24(35)14-3-5-16(26)6-4-14/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3,(H,29,34)(H,36,37)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333919
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)o1 |r| Show InChI InChI=1S/C27H22Cl2N2O8S/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333901
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CS(=O)(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C30H25Cl3N4O7S/c1-45(43,44)37-15-21(20-4-2-3-5-24(20)37)27(38)34-13-23(30(41)42)35-28(39)25-22(32)12-17-14-36(11-10-19(17)26(25)33)29(40)16-6-8-18(31)9-7-16/h2-9,12,15,23H,10-11,13-14H2,1H3,(H,34,38)(H,35,39)(H,41,42)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333906
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1cccc2c(cn(c12)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-4-3-5-21-22(15-38(27(16)21)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)25-23(33)12-18-14-37(11-10-20(18)26(25)34)30(41)17-6-8-19(32)9-7-17/h3-9,12,15,24H,10-11,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333921
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)s1 |r| Show InChI InChI=1S/C27H22Cl2N2O7S2/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333909
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CC(C)n1cnc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C26H25Cl3N4O4/c1-14(2)33-12-18(30-13-33)10-21(26(36)37)31-24(34)22-20(28)9-16-11-32(8-7-19(16)23(22)29)25(35)15-3-5-17(27)6-4-15/h3-6,9,12-14,21H,7-8,10-11H2,1-2H3,(H,31,34)(H,36,37)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333915
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccc3o2)C(O)=O)nn1 |r| Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-17(31-32-34)11-20(27(37)38)30-25(35)23-19(28)9-16-12-33(8-7-18(16)24(23)29)26(36)22-10-15-5-3-4-6-21(15)39-22/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3,(H,30,35)(H,37,38)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333913
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CC(C)c1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)[nH]n1 |r| Show InChI InChI=1S/C26H25Cl3N4O4/c1-13(2)20-10-17(31-32-20)11-21(26(36)37)30-24(34)22-19(28)9-15-12-33(8-7-18(15)23(22)29)25(35)14-3-5-16(27)6-4-14/h3-6,9-10,13,21H,7-8,11-12H2,1-2H3,(H,30,34)(H,31,32)(H,36,37)/t21-/m0/s1 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333917
((S)-2-(5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-c...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccn3n2)C(O)=O)nn1 |r| Show InChI InChI=1S/C26H25Cl2N7O4/c1-14(2)35-13-16(30-32-35)10-21(26(38)39)29-24(36)22-19(27)9-15-12-33(8-6-18(15)23(22)28)25(37)20-11-17-5-3-4-7-34(17)31-20/h3-5,7,9,11,13-14,21H,6,8,10,12H2,1-2H3,(H,29,36)(H,38,39)/t21-/m0/s1 | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333912
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CC(C)c1cn(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)nn1 |r| Show InChI InChI=1S/C25H24Cl3N5O4/c1-13(2)19-11-33(31-30-19)12-20(25(36)37)29-23(34)21-18(27)9-15-10-32(8-7-17(15)22(21)28)24(35)14-3-5-16(26)6-4-14/h3-6,9,11,13,20H,7-8,10,12H2,1-2H3,(H,29,34)(H,36,37)/t20-/m0/s1 | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333907
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H19Cl3N4O4/c24-14-3-1-12(2-4-14)22(32)30-6-5-16-13(10-30)7-17(25)19(20(16)26)21(31)29-18(23(33)34)8-15-9-27-11-28-15/h1-4,7,9,11,18H,5-6,8,10H2,(H,27,28)(H,29,31)(H,33,34)/t18-/m0/s1 | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333908
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cn1cnc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C24H21Cl3N4O4/c1-30-11-16(28-12-30)9-19(24(34)35)29-22(32)20-18(26)8-14-10-31(7-6-17(14)21(20)27)23(33)13-2-4-15(25)5-3-13/h2-5,8,11-12,19H,6-7,9-10H2,1H3,(H,29,32)(H,34,35)/t19-/m0/s1 | PDB
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| Article
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| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333918
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CS(=O)(=O)c1ncc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)[nH]1 |r| Show InChI InChI=1S/C26H22Cl2N4O7S/c1-40(37,38)26-29-11-16(30-26)10-19(25(35)36)31-23(33)21-18(27)8-15-12-32(6-4-17(15)22(21)28)24(34)14-3-2-13-5-7-39-20(13)9-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3,(H,29,30)(H,31,33)(H,35,36)/t19-/m0/s1 | PDB
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| Article
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| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50125195
((S)-2-(2-Bromo-benzoylamino)-3-(3H-imidazol-4-yl)-...)Show InChI InChI=1S/C13H12BrN3O3/c14-10-4-2-1-3-9(10)12(18)17-11(13(19)20)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1 | PDB
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction by ELISA |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333899
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](CNC(=O)c1c[nH]c2ccccc12)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H23Cl3N4O5/c30-17-7-5-15(6-8-17)28(39)36-10-9-18-16(14-36)11-21(31)24(25(18)32)27(38)35-23(29(40)41)13-34-26(37)20-12-33-22-4-2-1-3-19(20)22/h1-8,11-12,23,33H,9-10,13-14H2,(H,34,37)(H,35,38)(H,40,41)/t23-/m0/s1 | PDB
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| Article
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| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333900
((S)-3-(1-acetyl-1H-indole-3-carboxamido)-2-(5,7-di...)Show SMILES CC(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C31H25Cl3N4O6/c1-16(39)38-15-22(21-4-2-3-5-25(21)38)28(40)35-13-24(31(43)44)36-29(41)26-23(33)12-18-14-37(11-10-20(18)27(26)34)30(42)17-6-8-19(32)9-7-17/h2-9,12,15,24H,10-11,13-14H2,1H3,(H,35,40)(H,36,41)(H,43,44)/t24-/m0/s1 | PDB
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| Article
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| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333916
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1 |r| Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-18(31-32-34)11-21(27(37)38)30-25(35)23-20(28)9-17-12-33(7-5-19(17)24(23)29)26(36)16-4-3-15-6-8-39-22(15)10-16/h3-4,6,8-10,13-14,21H,5,7,11-12H2,1-2H3,(H,30,35)(H,37,38)/t21-/m0/s1 | PDB
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| n/a | n/a | >950 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50324822
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r| Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1 | PDB
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| Article
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333920
((S)-ethyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichlor...)Show SMILES CCOC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r| Show InChI InChI=1S/C29H25Cl2N3O6S/c1-2-39-29(38)21(14-32-26(35)23-4-3-11-41-23)33-27(36)24-20(30)12-18-15-34(9-7-19(18)25(24)31)28(37)17-6-5-16-8-10-40-22(16)13-17/h3-6,8,10-13,21H,2,7,9,14-15H2,1H3,(H,32,35)(H,33,36)/t21-/m0/s1 | PDB
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| Article
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333902
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES NS(=O)(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C29H24Cl3N5O7S/c30-17-7-5-15(6-8-17)28(40)36-10-9-18-16(13-36)11-21(31)24(25(18)32)27(39)35-22(29(41)42)12-34-26(38)20-14-37(45(33,43)44)23-4-2-1-3-19(20)23/h1-8,11,14,22H,9-10,12-13H2,(H,34,38)(H,35,39)(H,41,42)(H2,33,43,44)/t22-/m0/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333910
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](Cc1cn(cn1)-c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H23Cl3N4O4/c30-19-8-6-17(7-9-19)28(38)35-11-10-22-18(14-35)12-23(31)25(26(22)32)27(37)34-24(29(39)40)13-20-15-36(16-33-20)21-4-2-1-3-5-21/h1-9,12,15-16,24H,10-11,13-14H2,(H,34,37)(H,39,40)/t24-/m0/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333922
((2S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2...)Show SMILES CS(=O)(=O)N1CCC(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)C1 |r| Show InChI InChI=1S/C27H27Cl2N3O7S/c1-40(37,38)32-8-4-15(13-32)10-21(27(35)36)30-25(33)23-20(28)11-18-14-31(7-5-19(18)24(23)29)26(34)17-3-2-16-6-9-39-22(16)12-17/h2-3,6,9,11-12,15,21H,4-5,7-8,10,13-14H2,1H3,(H,30,33)(H,35,36)/t15?,21-/m0/s1 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333911
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)nn1 |r| Show InChI InChI=1S/C25H24Cl3N5O4/c1-13(2)33-12-17(30-31-33)10-20(25(36)37)29-23(34)21-19(27)9-15-11-32(8-7-18(15)22(21)28)24(35)14-3-5-16(26)6-4-14/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3,(H,29,34)(H,36,37)/t20-/m0/s1 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333914
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CC(C)c1cnc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)s1 |r| Show InChI InChI=1S/C26H24Cl3N3O4S/c1-13(2)20-11-30-21(37-20)10-19(26(35)36)31-24(33)22-18(28)9-15-12-32(8-7-17(15)23(22)29)25(34)14-3-5-16(27)6-4-14/h3-6,9,11,13,19H,7-8,10,12H2,1-2H3,(H,31,33)(H,35,36)/t19-/m0/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333903
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1cccc2n(cc(C(=O)NC[C@H](NC(=O)c3c(Cl)cc4CN(CCc4c3Cl)C(=O)c3ccc(Cl)cc3)C(O)=O)c12)S(C)(=O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-4-3-5-24-25(16)21(15-38(24)46(2,44)45)28(39)35-13-23(31(42)43)36-29(40)26-22(33)12-18-14-37(11-10-20(18)27(26)34)30(41)17-6-8-19(32)9-7-17/h3-9,12,15,23H,10-11,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t23-/m0/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50324812
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1 | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50125228
((S)-2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-pro...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H15BrN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m0/s1 | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction by ELISA |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333904
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1ccc2n(cc(C(=O)NC[C@H](NC(=O)c3c(Cl)cc4CN(CCc4c3Cl)C(=O)c3ccc(Cl)cc3)C(O)=O)c2c1)S(C)(=O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-25-21(11-16)22(15-38(25)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1 | PDB
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PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333905
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1ccc2c(cn(c2c1)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-21-22(15-38(25(21)11-16)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333901
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES CS(=O)(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C30H25Cl3N4O7S/c1-45(43,44)37-15-21(20-4-2-3-5-24(20)37)27(38)34-13-23(30(41)42)35-28(39)25-22(32)12-17-14-36(11-10-19(17)26(25)33)29(40)16-6-8-18(31)9-7-16/h2-9,12,15,23H,10-11,13-14H2,1H3,(H,34,38)(H,35,39)(H,41,42)/t23-/m0/s1 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50333906
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES Cc1cccc2c(cn(c12)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-4-3-5-21-22(15-38(27(16)21)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)25-23(33)12-18-14-37(11-10-20(18)26(25)34)30(41)17-6-8-19(32)9-7-17/h3-9,12,15,24H,10-11,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1 | PDB
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum |
Bioorg Med Chem Lett 21: 307-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM |
More data for this
Ligand-Target Pair | |
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