Found 507 hits with Last Name = 'mccleary' and Initial = 's' 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101417
(CHEMBL539928 | [1-Dimethylaminomethyl-2-(1H-indol-...)Show SMILES C[C@H](NC(=O)[C@@](CN(C)C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C32H34N4O4/c1-22(23-11-5-4-6-12-23)34-30(37)32(21-36(2)3,18-25-19-33-28-15-9-8-14-27(25)28)35-31(38)39-20-26-17-24-13-7-10-16-29(24)40-26/h4-17,19,22,33H,18,20-21H2,1-3H3,(H,34,37)(H,35,38)/t22-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101415
(CHEMBL306089 | [2-(1H-Indol-3-yl)-1-methoxymethyl-...)Show SMILES COC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H31N3O5/c1-21(22-10-4-3-5-11-22)33-29(35)31(20-37-2,17-24-18-32-27-14-8-7-13-26(24)27)34-30(36)38-19-25-16-23-12-6-9-15-28(23)39-25/h3-16,18,21,32H,17,19-20H2,1-2H3,(H,33,35)(H,34,36)/t21-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101420
(CHEMBL76501 | [2-(1H-Indol-3-yl)-1-(1-phenyl-ethyl...)Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C29H27N3O4/c1-19(20-9-3-2-4-10-20)31-28(33)26(16-22-17-30-25-13-7-6-12-24(22)25)32-29(34)35-18-23-15-21-11-5-8-14-27(21)36-23/h2-15,17,19,26,30H,16,18H2,1H3,(H,31,33)(H,32,34)/t19-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101414
(CHEMBL76455 | [1-(1H-Indol-3-ylmethyl)-1-(1-phenyl...)Show SMILES CCC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C32H33N3O4/c1-3-17-32(19-25-20-33-28-15-9-8-14-27(25)28,30(36)34-22(2)23-11-5-4-6-12-23)35-31(37)38-21-26-18-24-13-7-10-16-29(24)39-26/h4-16,18,20,22,33H,3,17,19,21H2,1-2H3,(H,34,36)(H,35,37)/t22-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101419
(CHEMBL77684 | [1-(1H-Indol-3-ylmethyl)-1-(1-phenyl...)Show SMILES CC[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H31N3O4/c1-3-31(18-24-19-32-27-15-9-8-14-26(24)27,29(35)33-21(2)22-11-5-4-6-12-22)34-30(36)37-20-25-17-23-13-7-10-16-28(23)38-25/h4-17,19,21,32H,3,18,20H2,1-2H3,(H,33,35)(H,34,36)/t21-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101416
(CHEMBL307488 | [(R)-2-(3H-Indol-3-yl)-1-methyl-1-(...)Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-20(21-10-4-3-5-11-21)32-28(34)30(2,17-23-18-31-26-14-8-7-13-25(23)26)33-29(35)36-19-24-16-22-12-6-9-15-27(22)37-24/h3-16,18,20,31H,17,19H2,1-2H3,(H,32,34)(H,33,35)/t20-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535083
(CHEMBL4460676)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r| Show InChI InChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101418
(CHEMBL72895 | [1-(1H-Indol-3-ylmethyl)-3-methyl-1-...)Show SMILES CC(C)C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C33H35N3O4/c1-22(2)18-33(19-26-20-34-29-15-9-8-14-28(26)29,31(37)35-23(3)24-11-5-4-6-12-24)36-32(38)39-21-27-17-25-13-7-10-16-30(25)40-27/h4-17,20,22-23,34H,18-19,21H2,1-3H3,(H,35,37)(H,36,38)/t23-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.79 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibition of specific binding at tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535112
(CHEMBL4439328)Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r| Show InChI InChI=1S/C17H19F2N7/c1-26-10-11(7-24-26)13-6-14-15(22-5-4-21-14)16(25-13)23-9-12-8-20-3-2-17(12,18)19/h4-7,10,12,20H,2-3,8-9H2,1H3,(H,23,25)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535084
(CHEMBL3546703)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@H]2CCCNC2)n1 Show InChI InChI=1S/C20H24N6O/c1-26(2)18-6-5-15(12-24-18)16-10-17-19(23-9-8-22-17)20(25-16)27-13-14-4-3-7-21-11-14/h5-6,8-10,12,14,21H,3-4,7,11,13H2,1-2H3/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419265
(CHEMBL1835069)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1 | 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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535097
(CHEMBL4561098)Show InChI InChI=1S/C17H18F2N6O/c1-25-9-11(7-23-25)13-6-14-15(22-5-4-21-14)16(24-13)26-10-12-8-20-3-2-17(12,18)19/h4-7,9,12,20H,2-3,8,10H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101417
(CHEMBL539928 | [1-Dimethylaminomethyl-2-(1H-indol-...)Show SMILES C[C@H](NC(=O)[C@@](CN(C)C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C32H34N4O4/c1-22(23-11-5-4-6-12-23)34-30(37)32(21-36(2)3,18-25-19-33-28-15-9-8-14-27(25)28)35-31(38)39-20-26-17-24-13-7-10-16-29(24)40-26/h4-17,19,22,33H,18,20-21H2,1-3H3,(H,34,37)(H,35,38)/t22-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro affinity for specific binding at Gerbil tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50101416
(CHEMBL307488 | [(R)-2-(3H-Indol-3-yl)-1-methyl-1-(...)Show SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-20(21-10-4-3-5-11-21)32-28(34)30(2,17-23-18-31-26-14-8-7-13-25(23)26)33-29(35)36-19-24-16-22-12-6-9-15-27(22)37-24/h3-16,18,20,31H,17,19H2,1-2H3,(H,32,34)(H,33,35)/t20-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
In vitro affinity for specific binding at Gerbil tachykinin receptor 1 |
J Med Chem 44: 2276-85 (2001)
BindingDB Entry DOI: 10.7270/Q2XS5TN8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50396073
(CHEMBL1235110)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535093
(CHEMBL4472827)Show SMILES CN(C)c1ccc(cn1)-c1cc(NC[C@H]2CCCNC2)c2cccnc2c1 |r| Show InChI InChI=1S/C22H27N5/c1-27(2)22-8-7-17(15-26-22)18-11-20-19(6-4-10-24-20)21(12-18)25-14-16-5-3-9-23-13-16/h4,6-8,10-12,15-16,23,25H,3,5,9,13-14H2,1-2H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535107
(CHEMBL4468047)Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419258
(CHEMBL1835070)Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526962
(CHEMBL4448056)Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(ccc2n1CC1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O3/c1-17-13-19(16-26(2)24(17)29)23-25-21-14-20(27-7-11-31-12-8-27)3-4-22(21)28(23)15-18-5-9-30-10-6-18/h3-4,13-14,16,18H,5-12,15H2,1-2H3 | PDB
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GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578787
(CHEMBL4874801)Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)| | PDB
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TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419256
(CHEMBL1835065 | US9579320, Example 302)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526964
(CHEMBL4438171)Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | PDB
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GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1/3
(Homo sapiens (Human)) | BDBM50396073
(CHEMBL1235110)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 | PDB
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GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535089
(CHEMBL4528289)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1 | PDB
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| PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50603088
(CHEMBL5203965)Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535088
(CHEMBL4584789)Show SMILES Cc1ccc(s1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C18H21N5S/c1-12-4-5-16(24-12)14-9-15-17(21-8-7-20-15)18(23-14)22-11-13-3-2-6-19-10-13/h4-5,7-9,13,19H,2-3,6,10-11H2,1H3,(H,22,23)/t13-/m0/s1 | PDB
MMDB
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| PC cid
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535105
(CHEMBL4455268)Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C21H24N4/c1-15-6-8-17(9-7-15)19-12-20-18(5-3-11-23-20)21(25-19)24-14-16-4-2-10-22-13-16/h3,5-9,11-12,16,22H,2,4,10,13-14H2,1H3,(H,24,25)/t16-/m0/s1 | PDB
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| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1/3
(Homo sapiens (Human)) | BDBM50419256
(CHEMBL1835065 | US9579320, Example 302)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535102
(CHEMBL4570588)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C19H23N7O/c1-26(2)17-4-3-13(10-23-17)15-9-16-18(22-6-5-21-16)19(25-15)24-12-14-11-20-7-8-27-14/h3-6,9-10,14,20H,7-8,11-12H2,1-2H3,(H,24,25)/t14-/m0/s1 | PDB
MMDB
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KEGG
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| PC cid
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| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419263
(CHEMBL1835057)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCNC3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m1/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578803
(CHEMBL4874457)Show SMILES CCCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(51.57,-49.7,;50.81,-51.04,;49.27,-51.04,;48.5,-52.38,;49.13,-53.78,;47.99,-54.81,;48.01,-56.35,;46.67,-57.13,;45.34,-56.36,;44.01,-57.14,;42.67,-56.37,;41.34,-57.14,;39.94,-56.52,;39.61,-55.01,;38.9,-57.66,;39.67,-58.99,;41.18,-58.68,;42.33,-59.7,;42.67,-54.82,;41.34,-54.06,;41.34,-52.52,;44,-54.05,;45.34,-54.82,;46.66,-54.05,;46.98,-52.54,;45.94,-51.4,;46.41,-49.94,;47.92,-49.62,;48.39,-48.16,;47.36,-47.02,;45.84,-47.35,;45.38,-48.81,)| | PDB
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TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50380682
(CHEMBL2017291 | I-BET151 (16))Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1 | PDB
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TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578814
(CHEMBL4861790)Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N1CCOCC1 |(13.88,-45.91,;13.88,-47.45,;15.21,-48.22,;16.54,-47.45,;17.87,-48.21,;19.2,-47.44,;19.51,-45.94,;18.48,-44.8,;18.95,-43.33,;20.46,-43.02,;20.93,-41.56,;19.9,-40.41,;18.39,-40.73,;17.91,-42.2,;21.04,-45.78,;21.67,-47.17,;20.53,-48.2,;20.55,-49.75,;19.21,-50.53,;17.88,-49.76,;16.54,-50.54,;15.21,-49.77,;13.87,-50.53,;12.47,-49.91,;12.15,-48.41,;11.44,-51.06,;12.21,-52.39,;13.72,-52.07,;14.86,-53.1,;21.8,-44.44,;23.34,-44.44,;24.1,-43.11,;23.34,-41.78,;21.8,-41.78,;21.02,-43.12,)| | PDB
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TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578787
(CHEMBL4874801)Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)| | PDB
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| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535118
(CHEMBL4460283)Show SMILES Cc1ccc(cc1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C20H23N5/c1-14-4-6-16(7-5-14)17-11-18-19(23-10-9-22-18)20(25-17)24-13-15-3-2-8-21-12-15/h4-7,9-11,15,21H,2-3,8,12-13H2,1H3,(H,24,25)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535114
(CHEMBL4583779)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C20H24N6O/c1-26(2)18-6-5-15(12-24-18)16-10-17-19(23-9-8-22-17)20(25-16)27-13-14-4-3-7-21-11-14/h5-6,8-10,12,14,21H,3-4,7,11,13H2,1-2H3/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526959
(CHEMBL4522991)Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578786
(CHEMBL4874356)Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N(C)C |(3.33,-45.38,;3.33,-46.92,;4.66,-47.69,;5.99,-46.92,;7.33,-47.69,;8.65,-46.91,;8.97,-45.41,;7.93,-44.27,;8.41,-42.81,;9.91,-42.49,;10.38,-41.03,;9.35,-39.89,;7.84,-40.21,;7.37,-41.68,;10.49,-45.25,;11.12,-46.65,;9.98,-47.68,;10,-49.22,;8.66,-50,;7.33,-49.23,;6,-50.01,;4.66,-49.24,;3.33,-50.01,;1.93,-49.39,;1.61,-47.88,;.89,-50.53,;1.66,-51.86,;3.17,-51.55,;4.32,-52.57,;11.26,-43.91,;12.8,-43.91,;11.04,-42.25,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578813
(CHEMBL4853472)Show SMILES COc1cc2c3n(C(C)C4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)C1CCOCC1 |(37,-33.67,;37,-35.21,;38.34,-35.98,;39.66,-35.21,;41,-35.97,;42.33,-35.2,;42.64,-33.7,;41.61,-32.56,;40.1,-32.89,;42.08,-31.09,;43.58,-30.78,;44.05,-29.32,;43.02,-28.17,;41.52,-28.49,;41.04,-29.96,;44.16,-33.54,;44.79,-34.93,;43.66,-35.96,;43.67,-37.51,;42.34,-38.29,;41,-37.52,;39.67,-38.3,;38.33,-37.53,;37,-38.3,;35.6,-37.67,;35.28,-36.17,;34.57,-38.82,;35.34,-40.15,;36.84,-39.83,;37.99,-40.86,;44.93,-32.2,;46.47,-32.19,;47.23,-30.86,;46.46,-29.53,;44.92,-29.53,;44.15,-30.87,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578802
(CHEMBL4862999)Show SMILES CCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(39.21,-51.97,;37.67,-51.98,;36.9,-53.31,;37.53,-54.71,;36.4,-55.74,;36.41,-57.29,;35.08,-58.06,;33.74,-57.29,;32.41,-58.07,;31.07,-57.3,;29.74,-58.07,;28.34,-57.45,;28.02,-55.94,;27.31,-58.59,;28.08,-59.93,;29.58,-59.61,;30.73,-60.64,;31.08,-55.76,;29.74,-54.99,;29.74,-53.45,;32.41,-54.99,;33.74,-55.75,;35.07,-54.98,;35.38,-53.48,;34.35,-52.34,;34.82,-50.87,;36.32,-50.56,;36.79,-49.09,;35.76,-47.95,;34.25,-48.28,;33.78,-49.74,)| | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535104
(CHEMBL4556378)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CNCCC2(F)F)n1 |r| Show InChI InChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526959
(CHEMBL4522991)Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419247
(CHEMBL1835071 | US8470835, 1)Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535087
(CHEMBL4458845)Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C17H21N7/c1-24-11-13(10-22-24)14-7-15-16(20-6-5-19-15)17(23-14)21-9-12-3-2-4-18-8-12/h5-7,10-12,18H,2-4,8-9H2,1H3,(H,21,23)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50535114
(CHEMBL4583779)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C20H24N6O/c1-26(2)18-6-5-15(12-24-18)16-10-17-19(23-9-8-22-17)20(25-16)27-13-14-4-3-7-21-11-14/h5-6,8-10,12,14,21H,3-4,7,11,13H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal-6His-tagged full length human Aurora B expressed in baculovirus using 5FAM-PKA-tide as substrate after 120 mins by fluoresce... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578784
(CHEMBL4874790)Show SMILES COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(36.85,-2.98,;36.09,-4.32,;34.55,-4.33,;33.78,-5.66,;32.24,-5.67,;31.48,-7,;32.11,-8.4,;30.97,-9.43,;30.98,-10.98,;29.65,-11.75,;28.31,-10.99,;26.98,-11.77,;25.65,-10.99,;24.31,-11.76,;22.91,-11.14,;22.59,-9.64,;21.88,-12.29,;22.65,-13.62,;24.16,-13.3,;25.3,-14.33,;25.65,-9.45,;24.31,-8.68,;24.31,-7.14,;26.98,-8.68,;28.31,-9.44,;29.64,-8.67,;29.95,-7.17,;28.92,-6.03,;29.39,-4.56,;30.89,-4.25,;31.37,-2.78,;30.33,-1.64,;28.82,-1.97,;28.35,-3.44,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578786
(CHEMBL4874356)Show SMILES COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N(C)C |(3.33,-45.38,;3.33,-46.92,;4.66,-47.69,;5.99,-46.92,;7.33,-47.69,;8.65,-46.91,;8.97,-45.41,;7.93,-44.27,;8.41,-42.81,;9.91,-42.49,;10.38,-41.03,;9.35,-39.89,;7.84,-40.21,;7.37,-41.68,;10.49,-45.25,;11.12,-46.65,;9.98,-47.68,;10,-49.22,;8.66,-50,;7.33,-49.23,;6,-50.01,;4.66,-49.24,;3.33,-50.01,;1.93,-49.39,;1.61,-47.88,;.89,-50.53,;1.66,-51.86,;3.17,-51.55,;4.32,-52.57,;11.26,-43.91,;12.8,-43.91,;11.04,-42.25,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578801
(CHEMBL4862592)Show SMILES COc1cc2c3n(Cc4ccccn4)c(C)nc3cnc2cc1-c1c(C)noc1C |(17.97,-53.92,;17.97,-55.46,;19.3,-56.23,;20.63,-55.45,;21.97,-56.22,;23.29,-55.45,;23.61,-53.94,;22.57,-52.8,;23.04,-51.34,;24.55,-51.02,;25.02,-49.56,;23.98,-48.42,;22.47,-48.75,;22.01,-50.21,;25.13,-53.78,;25.9,-52.44,;25.76,-55.18,;24.62,-56.21,;24.64,-57.75,;23.3,-58.53,;21.97,-57.76,;20.63,-58.54,;19.3,-57.77,;17.97,-58.54,;16.56,-57.92,;16.24,-56.41,;15.53,-59.06,;16.3,-60.4,;17.81,-60.08,;18.95,-61.11,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578804
(CHEMBL4846393)Show SMILES COc1cc2c3n(Cc4ccccn4)c(nc3cnc2cc1-c1c(C)noc1C)C(C)C |(3.79,-7.02,;3.79,-8.56,;5.12,-9.33,;6.45,-8.56,;7.79,-9.33,;9.11,-8.55,;9.43,-7.05,;8.39,-5.91,;8.86,-4.45,;10.37,-4.13,;10.84,-2.67,;9.81,-1.52,;8.29,-1.86,;7.83,-3.32,;10.95,-6.89,;11.58,-8.29,;10.44,-9.32,;10.46,-10.86,;9.12,-11.64,;7.79,-10.87,;6.46,-11.65,;5.12,-10.88,;3.79,-11.65,;2.39,-11.03,;2.06,-9.52,;1.35,-12.17,;2.12,-13.5,;3.63,-13.18,;4.78,-14.21,;11.72,-5.55,;13.26,-5.55,;11.5,-4.11,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50578805
(CHEMBL4847186)Show SMILES COc1cc2c3n(Cc4ccccn4)c(N)nc3cnc2cc1-c1c(C)noc1C |(13.99,-7.02,;13.99,-8.56,;15.33,-9.33,;16.66,-8.56,;17.99,-9.33,;19.32,-8.55,;19.63,-7.05,;18.6,-5.91,;19.07,-4.45,;20.57,-4.13,;21.05,-2.67,;20.01,-1.52,;18.5,-1.86,;18.03,-3.32,;21.16,-6.89,;21.92,-5.55,;21.78,-8.29,;20.65,-9.32,;20.66,-10.86,;19.33,-11.64,;17.99,-10.87,;16.66,-11.65,;15.33,-10.88,;13.99,-11.65,;12.59,-11.03,;12.27,-9.52,;11.56,-12.17,;12.33,-13.5,;13.83,-13.18,;14.98,-14.21,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in E... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00855
BindingDB Entry DOI: 10.7270/Q23T9N20 |
More data for this
Ligand-Target Pair | |
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