Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50027131 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
(Homo sapiens (Human)) | BDBM50264878
((cis)-4-((2-(4-((E)-3-morpholino-3-oxoprop-1-enyl)...)Show SMILES OC(=O)[C@@H]1CC[C@H](COc2ccccc2Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)CC1 |r,wU:6.6,3.2,(-2.85,-20.05,;-4.18,-20.83,;-5.52,-20.06,;-4.17,-22.37,;-5.51,-23.16,;-5.5,-24.69,;-4.16,-25.44,;-4.16,-26.98,;-2.82,-27.75,;-2.82,-29.29,;-4.15,-30.06,;-4.15,-31.61,;-2.82,-32.38,;-1.48,-31.6,;-1.48,-30.05,;-.15,-29.28,;1.18,-30.04,;1.18,-31.58,;2.52,-32.34,;3.85,-31.57,;5.19,-32.33,;6.52,-31.56,;7.86,-32.32,;9.19,-31.54,;7.86,-33.86,;6.53,-34.62,;6.53,-36.16,;7.87,-36.93,;9.2,-36.15,;9.2,-34.61,;3.84,-30.02,;2.5,-29.26,;2.49,-27.72,;2.48,-26.18,;.95,-27.73,;4.03,-27.72,;5.17,-29.24,;6.49,-28.46,;5.95,-30.57,;5.16,-27.7,;-2.83,-24.68,;-2.83,-23.14,)| Show InChI InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264880
((trans)-4-((2-(4-((E)-3-morpholino-3-oxoprop-1-eny...)Show SMILES OC(=O)[C@H]1CC[C@H](COc2ccccc2Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)CC1 |r,wU:6.6,wD:3.2,(-2.92,-34.03,;-4.25,-34.8,;-5.59,-34.04,;-4.24,-36.35,;-5.58,-37.13,;-5.57,-38.67,;-4.23,-39.42,;-4.23,-40.96,;-2.89,-41.73,;-2.89,-43.27,;-4.22,-44.04,;-4.22,-45.58,;-2.89,-46.35,;-1.55,-45.58,;-1.55,-44.03,;-.22,-43.26,;1.11,-44.02,;1.11,-45.56,;2.45,-46.32,;3.78,-45.55,;5.12,-46.31,;6.45,-45.53,;7.79,-46.3,;9.12,-45.52,;7.79,-47.84,;6.46,-48.6,;6.46,-50.13,;7.8,-50.91,;9.13,-50.13,;9.13,-48.59,;3.77,-44,;2.43,-43.24,;2.42,-41.7,;2.41,-40.16,;.88,-41.71,;3.96,-41.69,;5.1,-43.22,;6.42,-42.44,;5.88,-44.55,;5.09,-41.67,;-2.9,-38.66,;-2.9,-37.12,)| Show InChI InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265320
((trans)-4-(2-(4-((E)-3-morpholino-3-oxoprop-1-enyl...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:6.9,wD:3.2,(-4.33,-34.92,;-4.33,-36.46,;-5.66,-37.23,;-2.99,-37.23,;-2.99,-38.77,;-1.65,-39.54,;-.32,-38.77,;-.33,-37.23,;-1.65,-36.46,;1.02,-39.54,;1.02,-41.08,;-.31,-41.85,;-.31,-43.39,;1.03,-44.16,;2.36,-43.39,;2.36,-41.84,;3.69,-41.07,;5.03,-41.83,;5.02,-43.37,;6.36,-44.13,;7.69,-43.36,;9.03,-44.12,;10.36,-43.34,;11.7,-44.11,;13.03,-43.33,;11.7,-45.65,;10.37,-46.41,;10.37,-47.95,;11.71,-48.72,;13.04,-47.94,;13.04,-46.4,;7.68,-41.81,;6.35,-41.05,;6.33,-39.51,;6.32,-37.97,;4.79,-39.52,;7.87,-39.5,;9.01,-41.03,;10.34,-40.25,;9.79,-42.36,;9,-39.48,)| Show InChI InChI=1S/C28H27F6NO5S/c29-27(30,31)24-17(8-12-23(36)35-13-15-39-16-14-35)7-11-22(25(24)28(32,33)34)41-21-4-2-1-3-20(21)40-19-9-5-18(6-10-19)26(37)38/h1-4,7-8,11-12,18-19H,5-6,9-10,13-16H2,(H,37,38)/b12-8+/t18-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265147
((E)-1-morpholino-3-(4-(2-(piperidin-4-yloxy)phenyl...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCNCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H26F6N2O3S/c27-25(28,29)23-17(6-8-22(35)34-13-15-36-16-14-34)5-7-21(24(23)26(30,31)32)38-20-4-2-1-3-19(20)37-18-9-11-33-12-10-18/h1-8,18,33H,9-16H2/b8-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265190
((E)-1-morpholino-3-(4-(3-(tetrahydro-2H-thiopyran-...)Show SMILES FC(F)(F)c1c(Sc2cccc(OC3CCSCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H25F6NO3S2/c27-25(28,29)23-17(5-7-22(34)33-10-12-35-13-11-33)4-6-21(24(23)26(30,31)32)38-20-3-1-2-19(16-20)36-18-8-14-37-15-9-18/h1-7,16,18H,8-15H2/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265149
((E)-1-morpholino-3-(4-(2-(tetrahydro-2H-pyran-4-yl...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCOCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H25F6NO4S/c27-25(28,29)23-17(6-8-22(34)33-11-15-36-16-12-33)5-7-21(24(23)26(30,31)32)38-20-4-2-1-3-19(20)37-18-9-13-35-14-10-18/h1-8,18H,9-16H2/b8-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264778
((E)-1-morpholino-3-(4-(2-(pyridin-3-ylmethoxy)phen...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2cccnc2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(8-10-23(36)35-12-14-37-15-13-35)7-9-22(25(24)27(31,32)33)39-21-6-2-1-5-20(21)38-17-18-4-3-11-34-16-18/h1-11,16H,12-15,17H2/b10-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265286
((cis)-4-(3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-...)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:6.9,3.2,(21.38,-20.02,;20.04,-20.78,;18.71,-20.01,;20.04,-22.33,;18.7,-23.1,;18.69,-24.64,;20.02,-25.41,;21.37,-24.64,;21.37,-23.11,;20.02,-26.95,;21.36,-27.72,;21.35,-29.26,;22.69,-30.04,;24.02,-29.26,;24.02,-27.71,;25.35,-26.94,;26.69,-27.7,;26.69,-29.24,;28.02,-30,;29.35,-29.23,;30.69,-29.99,;32.02,-29.21,;33.36,-29.98,;34.69,-29.2,;33.37,-31.52,;32.03,-32.28,;32.04,-33.82,;33.37,-34.59,;34.7,-33.81,;34.7,-32.27,;29.34,-27.68,;28.01,-26.92,;27.99,-25.38,;27.98,-23.84,;26.45,-25.39,;29.53,-25.38,;30.67,-26.9,;32,-26.12,;31.45,-28.23,;30.66,-25.36,;22.68,-26.95,)| Show InChI InChI=1S/C28H27F6NO5S/c29-27(30,31)24-17(7-11-23(36)35-12-14-39-15-13-35)6-10-22(25(24)28(32,33)34)41-21-3-1-2-20(16-21)40-19-8-4-18(5-9-19)26(37)38/h1-3,6-7,10-11,16,18-19H,4-5,8-9,12-15H2,(H,37,38)/b11-7+/t18-,19+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264879
((cis)-4-((3-(4-((E)-3-morpholino-3-oxoprop-1-enyl)...)Show SMILES OC(=O)[C@@H]1CC[C@H](COc2cccc(Sc3ccc(\C=C\C(=O)N4CCOCC4)c(c3C(F)(F)F)C(F)(F)F)c2)CC1 |r,wU:6.6,3.2,(15.83,-23.61,;15.83,-25.15,;14.5,-25.93,;17.16,-25.92,;17.17,-27.47,;18.5,-28.23,;19.82,-27.46,;21.16,-28.23,;21.16,-29.77,;22.49,-30.54,;22.49,-32.09,;23.82,-32.86,;25.16,-32.09,;25.15,-30.54,;26.49,-29.76,;27.82,-30.53,;27.82,-32.06,;29.16,-32.83,;30.49,-32.05,;31.83,-32.81,;33.16,-32.04,;34.49,-32.8,;35.82,-32.02,;34.5,-34.34,;33.17,-35.11,;33.17,-36.64,;34.51,-37.41,;35.84,-36.64,;35.84,-35.09,;30.48,-30.5,;29.14,-29.75,;29.13,-28.21,;29.12,-26.66,;27.59,-28.22,;30.67,-28.2,;31.81,-29.72,;33.13,-28.94,;32.59,-31.05,;31.8,-28.18,;23.82,-29.77,;19.83,-25.92,;18.5,-25.15,)| Show InChI InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(9-11-24(37)36-12-14-40-15-13-36)8-10-23(26(25)29(33,34)35)42-22-3-1-2-21(16-22)41-17-18-4-6-20(7-5-18)27(38)39/h1-3,8-11,16,18,20H,4-7,12-15,17H2,(H,38,39)/b11-9+/t18-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264881
((trans)-4-((3-(4-((E)-3-morpholino-3-oxoprop-1-eny...)Show SMILES OC(=O)[C@H]1CC[C@H](COc2cccc(Sc3ccc(\C=C\C(=O)N4CCOCC4)c(c3C(F)(F)F)C(F)(F)F)c2)CC1 |r,wU:6.6,wD:3.2,(15.9,-38.84,;15.9,-40.38,;14.57,-41.15,;17.23,-41.15,;17.24,-42.7,;18.57,-43.46,;19.89,-42.69,;21.23,-43.46,;21.23,-45,;22.56,-45.77,;22.56,-47.32,;23.89,-48.09,;25.23,-47.32,;25.22,-45.77,;26.56,-44.99,;27.89,-45.76,;27.89,-47.29,;29.23,-48.06,;30.56,-47.28,;31.9,-48.04,;33.23,-47.27,;34.56,-48.03,;35.89,-47.25,;34.57,-49.57,;33.24,-50.34,;33.24,-51.87,;34.58,-52.64,;35.91,-51.87,;35.91,-50.32,;30.55,-45.73,;29.21,-44.97,;29.2,-43.43,;29.19,-41.89,;27.66,-43.45,;30.74,-43.43,;31.88,-44.95,;33.2,-44.17,;32.66,-46.28,;31.87,-43.41,;23.89,-45,;19.9,-41.15,;18.57,-40.38,)| Show InChI InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(9-11-24(37)36-12-14-40-15-13-36)8-10-23(26(25)29(33,34)35)42-22-3-1-2-21(16-22)41-17-18-4-6-20(7-5-18)27(38)39/h1-3,8-11,16,18,20H,4-7,12-15,17H2,(H,38,39)/b11-9+/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264876
((E)-1-morpholino-3-(4-(2-(pyridin-4-ylmethoxy)phen...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2ccncc2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(6-8-23(36)35-13-15-37-16-14-35)5-7-22(25(24)27(31,32)33)39-21-4-2-1-3-20(21)38-17-18-9-11-34-12-10-18/h1-12H,13-17H2/b8-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265148
((E)-1-morpholino-3-(4-(3-(piperidin-4-yloxy)phenyl...)Show SMILES FC(F)(F)c1c(Sc2cccc(OC3CCNCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H26F6N2O3S/c27-25(28,29)23-17(5-7-22(35)34-12-14-36-15-13-34)4-6-21(24(23)26(30,31)32)38-20-3-1-2-19(16-20)37-18-8-10-33-11-9-18/h1-7,16,18,33H,8-15H2/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265285
((cis)-4-(2-(4-((E)-3-morpholino-3-oxoprop-1-enyl)-...)Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:6.9,3.2,(-5.15,-20.16,;-5.15,-21.7,;-6.48,-22.47,;-3.81,-22.48,;-3.81,-24.02,;-2.47,-24.79,;-1.13,-24.02,;-1.14,-22.47,;-2.47,-21.71,;.2,-24.79,;.21,-26.33,;-1.12,-27.1,;-1.12,-28.64,;.21,-29.41,;1.55,-28.64,;1.54,-27.09,;2.87,-26.32,;4.21,-27.08,;4.21,-28.62,;5.54,-29.38,;6.88,-28.61,;8.21,-29.37,;9.54,-28.59,;10.88,-29.36,;12.21,-28.58,;10.89,-30.9,;9.55,-31.66,;9.56,-33.19,;10.89,-33.97,;12.23,-33.19,;12.22,-31.65,;6.87,-27.06,;5.53,-26.3,;5.52,-24.76,;5.51,-23.22,;3.98,-24.77,;7.06,-24.75,;8.19,-26.28,;9.52,-25.5,;8.97,-27.61,;8.18,-24.73,)| Show InChI InChI=1S/C28H27F6NO5S/c29-27(30,31)24-17(8-12-23(36)35-13-15-39-16-14-35)7-11-22(25(24)28(32,33)34)41-21-4-2-1-3-20(21)40-19-9-5-18(6-10-19)26(37)38/h1-4,7-8,11-12,18-19H,5-6,9-10,13-16H2,(H,37,38)/b12-8+/t18-,19+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265106
((E)-3-(4-(2-(cyclohexyloxy)phenylthio)-2,3-bis(tri...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCCCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H27F6NO3S/c28-26(29,30)24-18(11-13-23(35)34-14-16-36-17-15-34)10-12-22(25(24)27(31,32)33)38-21-9-5-4-8-20(21)37-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-17H2/b13-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265322
((E)-3-(4-(2-((1H-imidazol-4-yl)methoxy)phenylthio)...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2cnc[nH]2)ccc(C=CC(=O)N2CCOCC2)c1C(F)(F)F |w:23.24| Show InChI InChI=1S/C25H21F6N3O3S/c26-24(27,28)22-16(6-8-21(35)34-9-11-36-12-10-34)5-7-20(23(22)25(29,30)31)38-19-4-2-1-3-18(19)37-14-17-13-32-15-33-17/h1-8,13,15H,9-12,14H2,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264753
((E)-1-morpholino-3-(4-(2-(pyridin-2-ylmethoxy)phen...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2ccccn2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-18(9-11-23(36)35-13-15-37-16-14-35)8-10-22(25(24)27(31,32)33)39-21-7-2-1-6-20(21)38-17-19-5-3-4-12-34-19/h1-12H,13-17H2/b11-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265366
((E)-1-morpholino-3-(4-(2-(thiophen-2-ylmethoxy)phe...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2cccs2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H21F6NO3S2/c27-25(28,29)23-17(8-10-22(34)33-11-13-35-14-12-33)7-9-21(24(23)26(30,31)32)38-20-6-2-1-5-19(20)36-16-18-4-3-15-37-18/h1-10,15H,11-14,16H2/b10-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265246
((E)-3-(4-(2-((cis)-4-methylcyclohexyloxy)phenylthi...)Show SMILES C[C@H]1CC[C@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:4.7,1.0,(-7.33,6.45,;-6,5.68,;-4.66,6.45,;-3.34,5.68,;-3.33,4.13,;-4.66,3.36,;-6,4.14,;-1.99,3.37,;-1.99,1.83,;-3.32,1.06,;-3.32,-.49,;-1.98,-1.26,;-.65,-.49,;-.65,1.06,;.68,1.84,;2.02,1.07,;2.01,-.46,;3.35,-1.23,;4.68,-.45,;6.02,-1.21,;7.35,-.44,;8.69,-1.2,;10.02,-.42,;8.69,-2.74,;7.36,-3.51,;7.36,-5.04,;8.7,-5.81,;10.03,-5.03,;10.03,-3.49,;4.67,1.1,;3.34,1.85,;3.32,3.39,;3.31,4.94,;1.78,3.38,;4.86,3.4,;6,1.88,;7.33,2.66,;6.78,.55,;5.99,3.42,)| Show InChI InChI=1S/C28H29F6NO3S/c1-18-6-10-20(11-7-18)38-21-4-2-3-5-22(21)39-23-12-8-19(9-13-24(36)35-14-16-37-17-15-35)25(27(29,30)31)26(23)28(32,33)34/h2-5,8-9,12-13,18,20H,6-7,10-11,14-17H2,1H3/b13-9+/t18-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265321
((trans)-4-(3-(4-((E)-3-morpholino-3-oxoprop-1-enyl...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:6.9,wD:3.2,(22.2,-34.77,;20.86,-35.54,;19.53,-34.76,;20.85,-37.08,;19.52,-37.85,;19.51,-39.4,;20.84,-40.16,;22.18,-39.39,;22.19,-37.86,;20.84,-41.7,;22.17,-42.47,;22.17,-44.02,;23.5,-44.79,;24.84,-44.02,;24.84,-42.47,;26.17,-41.69,;27.5,-42.46,;27.5,-43.99,;28.84,-44.76,;30.17,-43.98,;31.51,-44.75,;32.84,-43.97,;34.18,-44.73,;35.51,-43.96,;34.18,-46.27,;32.85,-47.04,;32.85,-48.57,;34.19,-49.34,;35.52,-48.57,;35.52,-47.02,;30.16,-42.43,;28.82,-41.68,;28.81,-40.14,;28.8,-38.59,;27.27,-40.15,;30.35,-40.13,;31.49,-41.66,;32.81,-40.87,;32.27,-42.98,;31.48,-40.11,;23.5,-41.7,)| Show InChI InChI=1S/C28H27F6NO5S/c29-27(30,31)24-17(7-11-23(36)35-12-14-39-15-13-35)6-10-22(25(24)28(32,33)34)41-21-3-1-2-20(16-21)40-19-8-4-18(5-9-19)26(37)38/h1-3,6-7,10-11,16,18-19H,4-5,8-9,12-15H2,(H,37,38)/b11-7+/t18-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265367
((E)-3-(4-(2-(benzyloxy)phenylthio)-2,3-bis(trifluo...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OCc2ccccc2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C28H23F6NO3S/c29-27(30,31)25-20(11-13-24(36)35-14-16-37-17-15-35)10-12-23(26(25)28(32,33)34)39-22-9-5-4-8-21(22)38-18-19-6-2-1-3-7-19/h1-13H,14-18H2/b13-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265188
((E)-1-morpholino-3-(4-(3-(tetrahydro-2H-pyran-4-yl...)Show SMILES FC(F)(F)c1c(Sc2cccc(OC3CCOCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H25F6NO4S/c27-25(28,29)23-17(5-7-22(34)33-10-14-36-15-11-33)4-6-21(24(23)26(30,31)32)38-20-3-1-2-19(16-20)37-18-8-12-35-13-9-18/h1-7,16,18H,8-15H2/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265248
((E)-3-(4-(2-((trans)-4-methylcyclohexyloxy)phenylt...)Show SMILES C[C@H]1CC[C@@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:4.7,wD:1.0,(-6.83,-7.82,;-5.49,-8.59,;-5.49,-10.13,;-4.16,-10.91,;-2.82,-10.14,;-2.83,-8.59,;-4.16,-7.83,;-1.49,-10.9,;-1.48,-12.44,;-2.81,-13.21,;-2.81,-14.76,;-1.48,-15.53,;-.14,-14.76,;-.15,-13.21,;1.18,-12.43,;2.52,-13.2,;2.52,-14.73,;3.86,-15.5,;5.19,-14.72,;6.53,-15.49,;7.86,-14.71,;9.19,-15.47,;10.52,-14.7,;9.2,-17.01,;7.87,-17.78,;7.87,-19.31,;9.2,-20.08,;10.54,-19.31,;10.54,-17.76,;5.18,-13.17,;3.84,-12.42,;3.83,-10.88,;3.82,-9.33,;2.29,-10.89,;5.37,-10.87,;6.51,-12.4,;7.83,-11.61,;7.29,-13.72,;6.49,-10.85,)| Show InChI InChI=1S/C28H29F6NO3S/c1-18-6-10-20(11-7-18)38-21-4-2-3-5-22(21)39-23-12-8-19(9-13-24(36)35-14-16-37-17-15-35)25(27(29,30)31)26(23)28(32,33)34/h2-5,8-9,12-13,18,20H,6-7,10-11,14-17H2,1H3/b13-9+/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264877
((E)-1-morpholino-3-(4-(3-(pyridin-4-ylmethoxy)phen...)Show SMILES FC(F)(F)c1c(Sc2cccc(OCc3ccncc3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(5-7-23(36)35-12-14-37-15-13-35)4-6-22(25(24)27(31,32)33)39-21-3-1-2-20(16-21)38-17-18-8-10-34-11-9-18/h1-11,16H,12-15,17H2/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265189
((E)-1-morpholino-3-(4-(2-(tetrahydro-2H-thiopyran-...)Show SMILES FC(F)(F)c1c(Sc2ccccc2OC2CCSCC2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H25F6NO3S2/c27-25(28,29)23-17(6-8-22(34)33-11-13-35-14-12-33)5-7-21(24(23)26(30,31)32)38-20-4-2-1-3-19(20)36-18-9-15-37-16-10-18/h1-8,18H,9-16H2/b8-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265365
((E)-3-(4-(3-((1H-imidazol-4-yl)methoxy)phenylthio)...)Show SMILES FC(F)(F)c1c(Sc2cccc(OCc3cnc[nH]3)c2)ccc(C=CC(=O)N2CCOCC2)c1C(F)(F)F |w:23.24| Show InChI InChI=1S/C25H21F6N3O3S/c26-24(27,28)22-16(5-7-21(35)34-8-10-36-11-9-34)4-6-20(23(22)25(29,30)31)38-19-3-1-2-18(12-19)37-14-17-13-32-15-33-17/h1-7,12-13,15H,8-11,14H2,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264875
((E)-1-morpholino-3-(4-(3-(pyridin-3-ylmethoxy)phen...)Show SMILES FC(F)(F)c1c(Sc2cccc(OCc3cccnc3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(7-9-23(36)35-11-13-37-14-12-35)6-8-22(25(24)27(31,32)33)39-21-5-1-4-20(15-21)38-17-18-3-2-10-34-16-18/h1-10,15-16H,11-14,17H2/b9-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264754
((E)-1-morpholino-3-(4-(3-(pyridin-2-ylmethoxy)phen...)Show SMILES FC(F)(F)c1c(Sc2cccc(OCc3ccccn3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-18(8-10-23(36)35-12-14-37-15-13-35)7-9-22(25(24)27(31,32)33)39-21-6-3-5-20(16-21)38-17-19-4-1-2-11-34-19/h1-11,16H,12-15,17H2/b10-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50264752
((E)-3-(4-(3-(benzyloxy)phenylthio)-2,3-bis(trifluo...)Show SMILES FC(F)(F)c1c(Sc2cccc(OCc3ccccc3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C28H23F6NO3S/c29-27(30,31)25-20(10-12-24(36)35-13-15-37-16-14-35)9-11-23(26(25)28(32,33)34)39-22-8-4-7-21(17-22)38-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2/b12-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265107
((E)-3-(4-(3-(cyclohexyloxy)phenylthio)-2,3-bis(tri...)Show SMILES FC(F)(F)c1c(Sc2cccc(OC3CCCCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C27H27F6NO3S/c28-26(29,30)24-18(10-12-23(35)34-13-15-36-16-14-34)9-11-22(25(24)27(31,32)33)38-21-8-4-7-20(17-21)37-19-5-2-1-3-6-19/h4,7-12,17,19H,1-3,5-6,13-16H2/b12-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265284
((E)-3-(4-(3-((trans)-4-methylcyclohexyloxy)phenylt...)Show SMILES C[C@H]1CC[C@@H](CC1)Oc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:4.7,wD:1.0,(18.36,-6.91,;18.35,-8.45,;17.01,-9.21,;17.01,-10.76,;18.33,-11.53,;19.68,-10.76,;19.68,-9.22,;18.33,-13.07,;19.67,-13.84,;19.67,-15.38,;21,-16.15,;22.34,-15.38,;22.33,-13.83,;23.66,-13.05,;25,-13.82,;25,-15.36,;26.33,-16.12,;27.67,-15.35,;29,-16.11,;30.33,-15.33,;31.67,-16.09,;33,-15.32,;31.68,-17.63,;30.34,-18.4,;30.35,-19.93,;31.68,-20.7,;33.02,-19.93,;33.01,-18.38,;27.66,-13.8,;26.32,-13.04,;26.31,-11.5,;26.3,-9.96,;24.77,-11.51,;27.85,-11.49,;28.98,-13.02,;30.31,-12.23,;29.76,-14.34,;28.97,-11.47,;21,-13.07,)| Show InChI InChI=1S/C28H29F6NO3S/c1-18-5-9-20(10-6-18)38-21-3-2-4-22(17-21)39-23-11-7-19(8-12-24(36)35-13-15-37-16-14-35)25(27(29,30)31)26(23)28(32,33)34/h2-4,7-8,11-12,17-18,20H,5-6,9-10,13-16H2,1H3/b12-8+/t18-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50265247
((E)-3-(4-(3-((cis)-4-methylcyclohexyloxy)phenylthi...)Show SMILES C[C@H]1CC[C@H](CC1)Oc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |r,wU:4.7,1.0,(17.85,7.37,;17.84,5.83,;19.18,5.05,;19.17,3.52,;17.83,2.75,;16.5,3.51,;16.51,5.06,;17.83,1.21,;19.16,.44,;19.16,-1.11,;20.49,-1.88,;21.83,-1.11,;21.83,.44,;23.16,1.22,;24.49,.45,;24.49,-1.08,;25.83,-1.85,;27.16,-1.07,;28.5,-1.84,;29.83,-1.06,;31.17,-1.82,;32.5,-1.05,;31.17,-3.36,;29.84,-4.13,;29.84,-5.66,;31.18,-6.43,;32.51,-5.66,;32.51,-4.11,;27.15,.48,;25.81,1.23,;25.8,2.77,;25.79,4.32,;24.26,2.76,;27.34,2.78,;28.48,1.25,;29.8,2.04,;29.26,-.07,;28.47,2.8,;20.49,1.21,)| Show InChI InChI=1S/C28H29F6NO3S/c1-18-5-9-20(10-6-18)38-21-3-2-4-22(17-21)39-23-11-7-19(8-12-24(36)35-13-15-37-16-14-35)25(27(29,30)31)26(23)28(32,33)34/h2-4,7-8,11-12,17-18,20H,5-6,9-10,13-16H2,1H3/b12-8+/t18-,20+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method |
Bioorg Med Chem Lett 18: 5245-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.062
BindingDB Entry DOI: 10.7270/Q23B5ZZ1 |
More data for this
Ligand-Target Pair | |
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