Found 382 hits with Last Name = 'huth' and Initial = 'jr' 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 |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329390
(4'-(5-(1-(4-tert-butylphenyl)-1-hydroxy-3-(pyrroli...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)(CCN1CCCC1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C38H42ClNO4/c1-37(2,3)31-12-14-32(15-13-31)38(43,21-24-40-22-4-5-23-40)33-16-19-35(39)30(26-33)20-25-44-34-17-10-28(11-18-34)27-6-8-29(9-7-27)36(41)42/h6-19,26,43H,4-5,20-25H2,1-3H3,(H,41,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81731
(HSP90 Inhibitor, 5)Show InChI InChI=1S/C10H6Cl3N3/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H,(H2,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 60 | -41.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329389
(4'-(5-(1-(4-tert-butylphenyl)-1-hydroxy-3-morpholi...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)(CCN1CCOCC1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C38H42ClNO5/c1-37(2,3)31-10-12-32(13-11-31)38(43,19-20-40-21-24-44-25-22-40)33-14-17-35(39)30(26-33)18-23-45-34-15-8-28(9-16-34)27-4-6-29(7-5-27)36(41)42/h4-17,26,43H,18-25H2,1-3H3,(H,41,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81730
(HSP90 Inhibitor, 4)Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 170 | -38.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329388
(4'-(5-(1-(4-bromophenyl)-1-hydroxy-3-morpholinopro...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(OCCc2cc(ccc2Cl)C(O)(CCN2CCOCC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C34H33BrClNO5/c35-30-10-7-28(8-11-30)34(40,16-17-37-18-21-41-22-19-37)29-9-14-32(36)27(23-29)15-20-42-31-12-5-25(6-13-31)24-1-3-26(4-2-24)33(38)39/h1-14,23,40H,15-22H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329386
(4'-(2-chloro-5-(1-(4-chlorophenyl)-1-hydroxy-3-mor...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(OCCc2cc(ccc2Cl)C(O)(CCN2CCOCC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C34H33Cl2NO5/c35-30-10-7-28(8-11-30)34(40,16-17-37-18-21-41-22-19-37)29-9-14-32(36)27(23-29)15-20-42-31-12-5-25(6-13-31)24-1-3-26(4-2-24)33(38)39/h1-14,23,40H,15-22H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81729
(HSP90 Inhibitor, 1 | hsp90_125)Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 320 | -37.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329387
(4'-(2-chloro-5-(1-(4-chlorophenyl)-1-hydroxyethyl)...)Show SMILES CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C29H24Cl2O4/c1-29(34,23-8-11-25(30)12-9-23)24-10-15-27(31)22(18-24)16-17-35-26-13-6-20(7-14-26)19-2-4-21(5-3-19)28(32)33/h2-15,18,34H,16-17H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329385
(4'-(2-(4-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C33H35NO5/c1-34(2)22-6-21-33(37,28-7-4-3-5-8-28)29-15-19-31(20-16-29)39-24-23-38-30-17-13-26(14-18-30)25-9-11-27(12-10-25)32(35)36/h3-5,7-20,37H,6,21-24H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329380
(4'-(2-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO5/c1-34(2)21-7-20-33(37,28-8-4-3-5-9-28)29-10-6-11-31(24-29)39-23-22-38-30-18-16-26(17-19-30)25-12-14-27(15-13-25)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81732
(HSP90 Inhibitor, 6)Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13| Show InChI InChI=1S/C17H19N5O4S/c1-11-8-14(22-17(18)21-11)10-20-27(24,25)15-4-2-13(3-5-15)19-9-12-6-7-26-16(12)23/h2-5,8-9,19-20H,6-7,10H2,1H3,(H2,18,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+3 | -32.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329379
(4'-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)p...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO4/c1-34(2)22-7-21-33(37,29-9-4-3-5-10-29)30-11-6-8-25(24-30)20-23-38-31-18-16-27(17-19-31)26-12-14-28(15-13-26)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81733
(HSP90 Inhibitor, 7)Show InChI InChI=1S/C17H17N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-7,10-11H,8-9H2,1H3,(H2,18,20,21)/b7-6?,19-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+3 | -30.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329378
(4'-(2-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO4/c1-34(2)22-7-21-33(37,29-8-4-3-5-9-29)30-10-6-11-31(24-30)38-23-20-25-12-14-26(15-13-25)27-16-18-28(19-17-27)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329375
(3'-(2-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO4/c1-34(2)21-8-20-33(37,29-11-4-3-5-12-29)30-13-7-14-31(24-30)38-22-19-25-9-6-10-28(23-25)26-15-17-27(18-16-26)32(35)36/h3-7,9-18,23-24,37H,8,19-22H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329377
(4'-((3-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C32H33NO4/c1-33(2)21-7-20-32(36,28-8-4-3-5-9-28)29-10-6-11-30(22-29)37-23-24-12-14-25(15-13-24)26-16-18-27(19-17-26)31(34)35/h3-6,8-19,22,36H,7,20-21,23H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329381
(3'-((4-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H33NO4/c1-33(2)21-7-20-32(36,28-10-4-3-5-11-28)29-16-18-30(19-17-29)37-23-24-8-6-9-27(22-24)25-12-14-26(15-13-25)31(34)35/h3-6,8-19,22,36H,7,20-21,23H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329382
(3'-(2-(4-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCc2cccc(c2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C33H35NO4/c1-34(2)22-7-21-33(37,29-10-4-3-5-11-29)30-16-18-31(19-17-30)38-23-20-25-8-6-9-28(24-25)26-12-14-27(15-13-26)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329384
(4'-(2-(4-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCc2ccc(cc2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C33H35NO4/c1-34(2)23-6-22-33(37,29-7-4-3-5-8-29)30-17-19-31(20-18-30)38-24-21-25-9-11-26(12-10-25)27-13-15-28(16-14-27)32(35)36/h3-5,7-20,37H,6,21-24H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270588
(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)Show InChI InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 1.80E+4 | -27.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329376
(3'-((3-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C32H33NO4/c1-33(2)20-8-19-32(36,28-11-4-3-5-12-28)29-13-7-14-30(22-29)37-23-24-9-6-10-27(21-24)25-15-17-26(18-16-25)31(34)35/h3-7,9-18,21-22,36H,8,19-20,23H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329383
(4'-((4-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCc2ccc(cc2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H33NO4/c1-33(2)22-6-21-32(36,28-7-4-3-5-8-28)29-17-19-30(20-18-29)37-23-24-9-11-25(12-10-24)26-13-15-27(16-14-26)31(34)35/h3-5,7-20,36H,6,21-23H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107174
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2,3-bis-trifluo...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F6NO4S/c1-35-16-4-2-3-5-17(16)36-18-8-6-14(20(23(25,26)27)21(18)24(28,29)30)7-9-19(32)31-12-10-15(11-13-31)22(33)34/h2-9,15H,10-13H2,1H3,(H,33,34)/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(2-8) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107168
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H21F6NO5S/c26-24(27,28)21-14(2-6-20(33)32-9-7-15(8-10-32)23(34)35)1-5-19(22(21)25(29,30)31)38-16-3-4-17-18(13-16)37-12-11-36-17/h1-6,13,15H,7-12H2,(H,34,35)/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(0.03-0.5) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107166
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1C(F)(F)F Show InChI InChI=1S/C24H21ClF3NO5S/c25-22-19(35-16-3-4-17-18(13-16)34-12-11-33-17)5-1-14(21(22)24(26,27)28)2-6-20(30)29-9-7-15(8-10-29)23(31)32/h1-6,13,15H,7-12H2,(H,31,32)/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-2) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50376343
(CHEMBL411903)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H17F4N7O/c22-14-6-3-12(21(23,24)25)9-16(14)32-20(33)30-13-4-1-11(2-5-13)15-7-8-27-19-17(31-15)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,32,33)(H3,26,27,28,29) | PDB
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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50376359
(CHEMBL260092)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28) | PDB
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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376359
(CHEMBL260092)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of KDR in presence of 1 mM ATP |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107168
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H21F6NO5S/c26-24(27,28)21-14(2-6-20(33)32-9-7-15(8-10-32)23(34)35)1-5-19(22(21)25(29,30)31)38-16-3-4-17-18(13-16)37-12-11-36-17/h1-6,13,15H,7-12H2,(H,34,35)/b6-2+ | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(3-6) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50376357
(CHEMBL410731)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H17F4N7O/c22-16-13(21(23,24)25)2-1-3-15(16)32-20(33)30-12-6-4-11(5-7-12)14-8-9-27-19-17(31-14)18(26)28-10-29-19/h1-7,10H,8-9H2,(H2,30,32,33)(H3,26,27,28,29) | PDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376343
(CHEMBL411903)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H17F4N7O/c22-14-6-3-12(21(23,24)25)9-16(14)32-20(33)30-13-4-1-11(2-5-13)15-7-8-27-19-17(31-15)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,32,33)(H3,26,27,28,29) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of KDR in presence of 1 mM ATP |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107176
(1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12 Show InChI InChI=1S/C24H22Cl2N2O3S/c1-27-11-8-17-14-18(4-5-19(17)27)32-20-6-2-15(22(25)23(20)26)3-7-21(29)28-12-9-16(10-13-28)24(30)31/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,30,31)/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (1-10) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107173
(1-{3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trif...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1Cl)C(F)(F)F Show InChI InChI=1S/C23H21ClF3NO4S/c1-32-16-4-2-3-5-17(16)33-18-8-6-14(20(21(18)24)23(25,26)27)7-9-19(29)28-12-10-15(11-13-28)22(30)31/h2-9,15H,10-13H2,1H3,(H,30,31)/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107169
(1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(3-10) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107166
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1C(F)(F)F Show InChI InChI=1S/C24H21ClF3NO5S/c25-22-19(35-16-3-4-17-18(13-16)34-12-11-33-17)5-1-14(21(22)24(26,27)28)2-6-20(30)29-9-7-15(8-10-29)23(31)32/h1-6,13,15H,7-12H2,(H,31,32)/b6-2+ | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (4-7) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107162
(3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trifluo...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1Cl)C(F)(F)F Show InChI InChI=1S/C21H19ClF3NO3S/c1-28-15-4-2-3-5-16(15)30-17-8-6-14(19(20(17)22)21(23,24)25)7-9-18(27)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-10) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107174
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2,3-bis-trifluo...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F6NO4S/c1-35-16-4-2-3-5-17(16)36-18-8-6-14(20(23(25,26)27)21(18)24(28,29)30)7-9-19(32)31-12-10-15(11-13-31)22(33)34/h2-9,15H,10-13H2,1H3,(H,33,34)/b9-7+ | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(4-6) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107169
(1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+ | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(5-5) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376356
(CHEMBL429516)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H17F4N7O/c22-15-6-5-13(9-14(15)21(23,24)25)31-20(33)30-12-3-1-11(2-4-12)16-7-8-27-19-17(32-16)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,31,33)(H3,26,27,28,29) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of KDR in presence of 1 mM ATP |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376353
(CHEMBL403706)Show SMILES Cc1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)C1=Nc2c(N)ncnc2NCC1 |t:23| Show InChI InChI=1S/C22H20F3N7O/c1-12-5-6-13(16-7-8-27-20-18(31-16)19(26)28-11-29-20)9-17(12)32-21(33)30-15-4-2-3-14(10-15)22(23,24)25/h2-6,9-11H,7-8H2,1H3,(H2,30,32,33)(H3,26,27,28,29) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of KDR in presence of 1 mM ATP |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107181
(1-{3-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C24H25Cl2NO3S/c1-15(2)18-5-3-4-6-19(18)31-20-9-7-16(22(25)23(20)26)8-10-21(28)27-13-11-17(12-14-27)24(29)30/h3-10,15,17H,11-14H2,1-2H3,(H,29,30)/b10-8+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-18) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107176
(1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12 Show InChI InChI=1S/C24H22Cl2N2O3S/c1-27-11-8-17-14-18(4-5-19(17)27)32-20-6-2-15(22(25)23(20)26)3-7-21(29)28-12-9-16(10-13-28)24(30)31/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,30,31)/b7-3+ | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-6) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107167
(1-{3-[2,3-Dichloro-4-(2,3-dihydro-benzo[1,4]dioxin...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl Show InChI InChI=1S/C23H21Cl2NO5S/c24-21-14(2-6-20(27)26-9-7-15(8-10-26)23(28)29)1-5-19(22(21)25)32-16-3-4-17-18(13-16)31-12-11-30-17/h1-6,13,15H,7-12H2,(H,28,29)/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50376363
(CHEMBL409872)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 |c:9| Show InChI InChI=1S/C20H18ClN7O/c21-13-2-1-3-15(10-13)27-20(29)26-14-6-4-12(5-7-14)16-8-9-23-19-17(28-16)18(22)24-11-25-19/h1-7,10-11H,8-9H2,(H2,26,27,29)(H3,22,23,24,25) | PDB
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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107173
(1-{3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trif...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1Cl)C(F)(F)F Show InChI InChI=1S/C23H21ClF3NO4S/c1-32-16-4-2-3-5-17(16)33-18-8-6-14(20(21(18)24)23(25,26)27)7-9-19(29)28-12-10-15(11-13-28)22(30)31/h2-9,15H,10-13H2,1H3,(H,30,31)/b9-7+ | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (5-8) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50376355
(CHEMBL412102)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H17ClF3N7O/c22-15-6-5-13(9-14(15)21(23,24)25)31-20(33)30-12-3-1-11(2-4-12)16-7-8-27-19-17(32-16)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,31,33)(H3,26,27,28,29) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of KDR in presence of 1 mM ATP |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107164
(3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl Show InChI InChI=1S/C20H19Cl2NO3S/c1-25-15-4-2-3-5-16(15)27-17-8-6-14(19(21)20(17)22)7-9-18(24)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1 |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50376359
(CHEMBL260092)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cKit |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50376356
(CHEMBL429516)Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1 |c:9| Show InChI InChI=1S/C21H17F4N7O/c22-15-6-5-13(9-14(15)21(23,24)25)31-20(33)30-12-3-1-11(2-4-12)16-7-8-27-19-17(32-16)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,31,33)(H3,26,27,28,29) | PDB
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 18: 2691-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107161
(1-(4-Acetyl-piperazin-1-yl)-3-[2,3-dichloro-4-(2,3...)Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl Show InChI InChI=1S/C23H22Cl2N2O4S/c1-15(28)26-8-10-27(11-9-26)21(29)7-3-16-2-6-20(23(25)22(16)24)32-17-4-5-18-19(14-17)31-13-12-30-18/h2-7,14H,8-13H2,1H3/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(6-9) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Search and Browse
