Found 95 hits with Last Name = 'fowler' and Initial = 'k' 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 |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150175
(US8980901, 107 | US9149477, Compound 107)Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an... |
US Patent US9149477 (2015)
BindingDB Entry DOI: 10.7270/Q2RR1X11 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ. |
US Patent US8586597 (2013)
BindingDB Entry DOI: 10.7270/Q2RV0M9J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Biochemical assay using PI3K delta. |
US Patent USRE44599 (2013)
BindingDB Entry DOI: 10.7270/Q2736PJJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150175
(US8980901, 107 | US9149477, Compound 107)Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Icos Corporation
US Patent
| Assay Description
Using the method described in Example 2, compounds of the invention were
tested for inhibitory activity and potency against PI3Kdelta, and for
sele... |
US Patent US8980901 (2015)
BindingDB Entry DOI: 10.7270/Q28C9V0N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150172
(US8980901, 117)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1cccc(F)c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Icos Corporation
US Patent
| Assay Description
Using the method described in Example 2, compounds of the invention were
tested for inhibitory activity and potency against PI3Kdelta, and for
sele... |
US Patent US8980901 (2015)
BindingDB Entry DOI: 10.7270/Q28C9V0N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM182844
(US9149477, Compound 117)Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H16ClF2N7O/c1-2-15(30-20-18-19(27-9-26-18)28-10-29-20)21-31-16-5-3-4-14(23)17(16)22(33)32(21)13-7-11(24)6-12(25)8-13/h3-10,15H,2H2,1H3,(H2,26,27,28,29,30)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an... |
US Patent US9149477 (2015)
BindingDB Entry DOI: 10.7270/Q2RR1X11 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104486
(US8586597, 101 | USRE44599, 117)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C22H16ClF2N7O/c1-2-15(30-20-18-19(27-9-26-18)28-10-29-20)21-31-16-5-3-4-14(23)17(16)22(33)32(21)13-7-11(24)6-12(25)8-13/h3-10,15H,2H2,1H3,(H2,26,27,28,29,30)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Biochemical assay using PI3K delta. |
US Patent USRE44599 (2013)
BindingDB Entry DOI: 10.7270/Q2736PJJ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104486
(US8586597, 101 | USRE44599, 117)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C22H16ClF2N7O/c1-2-15(30-20-18-19(27-9-26-18)28-10-29-20)21-31-16-5-3-4-14(23)17(16)22(33)32(21)13-7-11(24)6-12(25)8-13/h3-10,15H,2H2,1H3,(H2,26,27,28,29,30)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ. |
US Patent US8586597 (2013)
BindingDB Entry DOI: 10.7270/Q2RV0M9J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150171
(US8980901, 98)Show SMILES CC(Nc1ncnc2[nH]cc(C)c12)c1nc2cccc(C)c2c(=O)n1-c1cccc(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Icos Corporation
US Patent
| Assay Description
Using the method described in Example 2, compounds of the invention were
tested for inhibitory activity and potency against PI3Kdelta, and for
sele... |
US Patent US8980901 (2015)
BindingDB Entry DOI: 10.7270/Q28C9V0N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104485
(US8586597, 99 | USRE44599, 98)Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C22H19N7O/c1-2-16(27-20-18-19(24-12-23-18)25-13-26-20)21-28-17-11-7-6-10-15(17)22(30)29(21)14-8-4-3-5-9-14/h3-13,16H,2H2,1H3,(H2,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Biochemical assay using PI3K delta. |
US Patent USRE44599 (2013)
BindingDB Entry DOI: 10.7270/Q2736PJJ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104485
(US8586597, 99 | USRE44599, 98)Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C22H19N7O/c1-2-16(27-20-18-19(24-12-23-18)25-13-26-20)21-28-17-11-7-6-10-15(17)22(30)29(21)14-8-4-3-5-9-14/h3-13,16H,2H2,1H3,(H2,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ. |
US Patent US8586597 (2013)
BindingDB Entry DOI: 10.7270/Q2RV0M9J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM182845
(US9149477, Compound 98)Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1ccccc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an... |
US Patent US9149477 (2015)
BindingDB Entry DOI: 10.7270/Q2RR1X11 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104488
(US8586597, 98 | USRE44599, 93)Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 Show InChI InChI=1S/C23H19F2N7O/c1-3-16(30-21-19-20(27-10-26-19)28-11-29-21)22-31-17-6-4-5-12(2)18(17)23(33)32(22)15-8-13(24)7-14(25)9-15/h4-11,16H,3H2,1-2H3,(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ. |
US Patent US8586597 (2013)
BindingDB Entry DOI: 10.7270/Q2RV0M9J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150174
(US8980901, 93 | US9149477, Compound 93)Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an... |
US Patent US9149477 (2015)
BindingDB Entry DOI: 10.7270/Q2RR1X11 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150174
(US8980901, 93 | US9149477, Compound 93)Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Icos Corporation
US Patent
| Assay Description
Using the method described in Example 2, compounds of the invention were
tested for inhibitory activity and potency against PI3Kdelta, and for
sele... |
US Patent US8980901 (2015)
BindingDB Entry DOI: 10.7270/Q28C9V0N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104488
(US8586597, 98 | USRE44599, 93)Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 Show InChI InChI=1S/C23H19F2N7O/c1-3-16(30-21-19-20(27-10-26-19)28-11-29-21)22-31-17-6-4-5-12(2)18(17)23(33)32(22)15-8-13(24)7-14(25)9-15/h4-11,16H,3H2,1-2H3,(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Biochemical assay using PI3K delta. |
US Patent USRE44599 (2013)
BindingDB Entry DOI: 10.7270/Q2736PJJ |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092956
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phen...)Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O Show InChI InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092956
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phen...)Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O Show InChI InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104487
(US8586597, 102 | USRE44599, 174)Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(4.1,.06,;2.77,.83,;1.44,.06,;1.44,-1.48,;2.77,-2.25,;4.1,-1.48,;5.44,-2.25,;5.44,-3.79,;4.1,-4.56,;3.78,-6.06,;2.25,-6.22,;1.63,-4.82,;2.77,-3.79,;.1,.83,;-1.23,.06,;-2.56,.83,;-3.9,.06,;-5.23,.83,;-5.23,2.37,;-3.9,3.14,;-3.9,4.68,;-2.56,2.37,;-1.23,3.14,;-1.23,4.68,;.1,2.37,;1.44,3.14,;1.44,4.68,;-.05,5.08,;2.77,5.45,;4.1,4.68,;4.1,3.14,;2.77,2.37,;4.1,1.6,)| Show InChI InChI=1S/C22H16ClF2N7O/c1-2-14(30-20-17-19(27-9-26-17)28-10-29-20)21-31-15-8-3-5-11(23)16(15)22(33)32(21)18-12(24)6-4-7-13(18)25/h3-10,14H,2H2,1H3,(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Compounds of the invention were tested for inhibitory activity and potency against PI3Kδ. |
US Patent US8586597 (2013)
BindingDB Entry DOI: 10.7270/Q2RV0M9J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM104487
(US8586597, 102 | USRE44599, 174)Show SMILES CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(4.1,.06,;2.77,.83,;1.44,.06,;1.44,-1.48,;2.77,-2.25,;4.1,-1.48,;5.44,-2.25,;5.44,-3.79,;4.1,-4.56,;3.78,-6.06,;2.25,-6.22,;1.63,-4.82,;2.77,-3.79,;.1,.83,;-1.23,.06,;-2.56,.83,;-3.9,.06,;-5.23,.83,;-5.23,2.37,;-3.9,3.14,;-3.9,4.68,;-2.56,2.37,;-1.23,3.14,;-1.23,4.68,;.1,2.37,;1.44,3.14,;1.44,4.68,;-.05,5.08,;2.77,5.45,;4.1,4.68,;4.1,3.14,;2.77,2.37,;4.1,1.6,)| Show InChI InChI=1S/C22H16ClF2N7O/c1-2-14(30-20-17-19(27-9-26-17)28-10-29-20)21-31-15-8-3-5-11(23)16(15)22(33)32(21)18-12(24)6-4-7-13(18)25/h3-10,14H,2H2,1H3,(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Biochemical assay using PI3K delta. |
US Patent USRE44599 (2013)
BindingDB Entry DOI: 10.7270/Q2736PJJ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM150173
(US8980901, 174)Show SMILES CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Icos Corporation
US Patent
| Assay Description
Using the method described in Example 2, compounds of the invention were
tested for inhibitory activity and potency against PI3Kdelta, and for
sele... |
US Patent US8980901 (2015)
BindingDB Entry DOI: 10.7270/Q28C9V0N |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM182846
(US9149477, Compound 174)Show SMILES CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(-6.81,-.53,;-5.47,.24,;-4.14,-.53,;-2.8,.24,;-2.8,1.78,;-1.47,2.55,;-1.47,4.09,;-2.8,4.86,;-4.14,4.09,;-5.6,4.56,;-6.51,3.32,;-5.6,2.07,;-4.14,2.55,;-4.14,-2.07,;-5.47,-2.84,;-5.47,-4.38,;-6.81,-5.15,;-6.81,-6.69,;-5.47,-7.46,;-4.14,-6.69,;-2.8,-7.46,;-4.14,-5.15,;-2.8,-4.38,;-1.47,-5.15,;-2.8,-2.84,;-1.47,-2.07,;-1.47,-.53,;-2.1,.87,;-.14,.24,;1.2,-.53,;1.2,-2.07,;-.14,-2.84,;-.14,-4.38,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ICOS Corporation
US Patent
| Assay Description
Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kδ, an... |
US Patent US9149477 (2015)
BindingDB Entry DOI: 10.7270/Q2RR1X11 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092953
(2-{4-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-propenyl]-...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H21N3O5S/c1-16(27)23-10-12-24(13-11-23)22(28)9-7-17-6-8-21(19(14-17)25(29)30)31-20-5-3-2-4-18(20)15-26/h2-9,14-15H,10-13H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092912
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,4-dichloro-phe...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-8-10-25(11-9-24)21(28)7-3-15-2-5-20(18(12-15)26(29)30)31-19-6-4-16(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3/b7-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092900
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-ethyl-phenylsu...)Show SMILES CCc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O Show InChI InChI=1S/C23H25N3O4S/c1-3-19-6-4-5-7-21(19)31-22-10-8-18(16-20(22)26(29)30)9-11-23(28)25-14-12-24(13-15-25)17(2)27/h4-11,16H,3,12-15H2,1-2H3/b11-9+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092912
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,4-dichloro-phe...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-8-10-25(11-9-24)21(28)7-3-15-2-5-20(18(12-15)26(29)30)31-19-6-4-16(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092928
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dichloro-phe...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc(Cl)c2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-9-11-25(12-10-24)20(28)8-6-15-5-7-18(17(13-15)26(29)30)31-19-4-2-3-16(22)21(19)23/h2-8,13H,9-12H2,1H3/b8-6+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092900
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-ethyl-phenylsu...)Show SMILES CCc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O Show InChI InChI=1S/C23H25N3O4S/c1-3-19-6-4-5-7-21(19)31-22-10-8-18(16-20(22)26(29)30)9-11-23(28)25-14-12-24(13-15-25)17(2)27/h4-11,16H,3,12-15H2,1-2H3/b11-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092906
(3-{4-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C32H34ClN3O4S/c33-27-19-24(7-10-32(37)36-15-17-38-18-16-36)6-9-31(27)41-30-4-2-1-3-26(30)22-35-13-11-34(12-14-35)21-25-5-8-28-29(20-25)40-23-39-28/h1-10,19-20H,11-18,21-23H2/b10-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092895
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-chloro-phenyls...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4S/c1-15(26)23-10-12-24(13-11-23)21(27)9-7-16-6-8-20(18(14-16)25(28)29)30-19-5-3-2-4-17(19)22/h2-9,14H,10-13H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092916
(1-(4-Acetyl-piperazin-1-yl)-3-(3-nitro-4-o-tolylsu...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H23N3O4S/c1-16-5-3-4-6-20(16)30-21-9-7-18(15-19(21)25(28)29)8-10-22(27)24-13-11-23(12-14-24)17(2)26/h3-10,15H,11-14H2,1-2H3/b10-8+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092901
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-nitro-phenyl]...)Show SMILES [O-][N+](=O)c1cc(\C=C\C(=O)NCCCN2CCCC2=O)ccc1Sc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl2N3O4S/c23-16-6-8-19(17(24)14-16)32-20-7-4-15(13-18(20)27(30)31)5-9-21(28)25-10-2-12-26-11-1-3-22(26)29/h4-9,13-14H,1-3,10-12H2,(H,25,28)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092936
(CHEMBL131013 | [2-(2,4-Dichloro-phenylsulfanyl)-ph...)Show InChI InChI=1S/C19H22Cl2N2OS/c20-15-6-7-18(16(21)14-15)25-19-5-2-1-4-17(19)22-8-3-9-23-10-12-24-13-11-23/h1-2,4-7,14,22H,3,8-13H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092943
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C21H19Cl3N2O2S/c1-14(27)25-8-10-26(11-9-25)21(28)7-3-15-2-5-19(17(23)12-15)29-20-6-4-16(22)13-18(20)24/h2-7,12-13H,8-11H2,1H3/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092893
(3-[3-Chloro-4-(2-morpholin-4-ylmethyl-phenylsulfan...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCOCC1 Show InChI InChI=1S/C24H27ClN2O3S/c25-21-17-19(6-8-24(28)27-11-15-30-16-12-27)5-7-23(21)31-22-4-2-1-3-20(22)18-26-9-13-29-14-10-26/h1-8,17H,9-16,18H2/b8-6+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092901
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-nitro-phenyl]...)Show SMILES [O-][N+](=O)c1cc(\C=C\C(=O)NCCCN2CCCC2=O)ccc1Sc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl2N3O4S/c23-16-6-8-19(17(24)14-16)32-20-7-4-15(13-18(20)27(30)31)5-9-21(28)25-10-2-12-26-11-1-3-22(26)29/h4-9,13-14H,1-3,10-12H2,(H,25,28)/b9-5+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092917
(3-{3-Chloro-4-[2-(3-morpholin-4-yl-propylamino)-ph...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1NCCCN1CCOCC1 Show InChI InChI=1S/C26H32ClN3O3S/c27-22-20-21(7-9-26(31)30-14-18-33-19-15-30)6-8-24(22)34-25-5-2-1-4-23(25)28-10-3-11-29-12-16-32-17-13-29/h1-2,4-9,20,28H,3,10-19H2/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092892
(3-{3-Chloro-4-[2-(3-morpholin-4-yl-3-oxo-propenyl)...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1\C=C\C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27ClN2O4S/c27-22-19-20(6-9-25(30)28-11-15-32-16-12-28)5-8-24(22)34-23-4-2-1-3-21(23)7-10-26(31)29-13-17-33-18-14-29/h1-10,19H,11-18H2/b9-6+,10-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092892
(3-{3-Chloro-4-[2-(3-morpholin-4-yl-3-oxo-propenyl)...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1\C=C\C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27ClN2O4S/c27-22-19-20(6-9-25(30)28-11-15-32-16-12-28)5-8-24(22)34-23-4-2-1-3-21(23)7-10-26(31)29-13-17-33-18-14-29/h1-10,19H,11-18H2/b9-6+,10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092943
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C21H19Cl3N2O2S/c1-14(27)25-8-10-26(11-9-25)21(28)7-3-15-2-5-19(17(23)12-15)29-20-6-4-16(22)13-18(20)24/h2-7,12-13H,8-11H2,1H3/b7-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092910
(({2-[2-Chloro-4-(3-morpholin-4-yl-3-oxo-propenyl)-...)Show SMILES CCOC(=O)CN(C)Cc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C25H29ClN2O4S/c1-3-32-25(30)18-27(2)17-20-6-4-5-7-22(20)33-23-10-8-19(16-21(23)26)9-11-24(29)28-12-14-31-15-13-28/h4-11,16H,3,12-15,17-18H2,1-2H3/b11-9+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092951
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-dimethylamino-...)Show SMILES CN(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O Show InChI InChI=1S/C23H26N4O4S/c1-17(28)25-12-14-26(15-13-25)23(29)11-9-18-8-10-22(20(16-18)27(30)31)32-21-7-5-4-6-19(21)24(2)3/h4-11,16H,12-15H2,1-3H3/b11-9+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092906
(3-{4-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C32H34ClN3O4S/c33-27-19-24(7-10-32(37)36-15-17-38-18-16-36)6-9-31(27)41-30-4-2-1-3-26(30)22-35-13-11-34(12-14-35)21-25-5-8-28-29(20-25)40-23-39-28/h1-10,19-20H,11-18,21-23H2/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092955
(4-{2-[2-Chloro-4-(3-morpholin-4-yl-3-oxo-propenyl)...)Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCN(CC1)C=O Show InChI InChI=1S/C25H28ClN3O3S/c26-22-17-20(6-8-25(31)29-13-15-32-16-14-29)5-7-24(22)33-23-4-2-1-3-21(23)18-27-9-11-28(19-30)12-10-27/h1-8,17,19H,9-16,18H2/b8-6+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092941
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C19H16Cl3NO2S/c20-14-3-5-18(16(22)12-14)26-17-4-1-13(11-15(17)21)2-6-19(24)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092931
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-tert-butyl-phe...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H29N3O4S/c1-18(29)26-13-15-27(16-14-26)24(30)12-10-19-9-11-23(21(17-19)28(31)32)33-22-8-6-5-7-20(22)25(2,3)4/h5-12,17H,13-16H2,1-4H3/b12-10+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092897
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)NCCCN3CCCC3=O)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C22H21Cl3N2O2S/c23-16-6-8-20(18(25)14-16)30-19-7-4-15(13-17(19)24)5-9-21(28)26-10-2-12-27-11-1-3-22(27)29/h4-9,13-14H,1-3,10-12H2,(H,26,28)/b9-5+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092952
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)Show SMILES OCCCCCCNC(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl3NO2S/c22-16-7-9-20(18(24)14-16)28-19-8-5-15(13-17(19)23)6-10-21(27)25-11-3-1-2-4-12-26/h5-10,13-14,26H,1-4,11-12H2,(H,25,27)/b10-6+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092894
(2-(2,4-Dichloro-phenylsulfanyl)-5-(3-morpholin-4-y...)Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2C=O)c(Cl)c1 Show InChI InChI=1S/C20H17Cl2NO3S/c21-16-3-5-19(17(22)12-16)27-18-4-1-14(11-15(18)13-24)2-6-20(25)23-7-9-26-10-8-23/h1-6,11-13H,7-10H2/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092932
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-amino-phenylsu...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2N)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O4S/c1-15(26)23-10-12-24(13-11-23)21(27)9-7-16-6-8-20(18(14-16)25(28)29)30-19-5-3-2-4-17(19)22/h2-9,14H,10-13,22H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this
Ligand-Target Pair | |
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