Found 87 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007086
(CHEMBL3237558)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(n2)C2CC2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-4-1-2-5-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-7-3-6-13(22-16)11-8-9-11/h3,6-7,10-12,14H,1-2,4-5,8-9,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007039
(CHEMBL3237556)Show SMILES CCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C18H25N7O/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007186
(CHEMBL3237580)Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007105
(CHEMBL3237573)Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1C |r| Show InChI InChI=1S/C20H29N7O/c1-11(2)18-12(3)8-9-16(25-18)24-15-10-17(26-27-19(15)20(22)28)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H2,22,28)(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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007094
(CHEMBL3237565)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC |r| Show InChI InChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/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 |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007088
(CHEMBL3237559)Show SMILES CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C19H27N7O/c1-11(2)13-8-5-9-16(22-13)24-15-10-17(25-26-18(15)19(21)27)23-14-7-4-3-6-12(14)20/h5,8-12,14H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t12-,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 |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007106
(CHEMBL3237574)Show SMILES CCCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1OC |r| Show InChI InChI=1S/C20H29N7O2/c1-3-6-14-16(29-2)9-10-17(24-14)25-15-11-18(26-27-19(15)20(22)28)23-13-8-5-4-7-12(13)21/h9-13H,3-8,21H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007068
(CHEMBL3237557)Show SMILES CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C19H27N7O/c1-2-6-12-7-5-10-16(22-12)24-15-11-17(25-26-18(15)19(21)27)23-14-9-4-3-8-13(14)20/h5,7,10-11,13-14H,2-4,6,8-9,20H2,1H3,(H2,21,27)(H2,22,23,24,25)/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007090
(CHEMBL3237561)Show SMILES Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007092
(CHEMBL3237563)Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-11(2)21-15(8-10)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007104
(CHEMBL3237572 | US10112928, Compound I-17)Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007160
(CHEMBL3237578 | US10112928, Compound I-20)Show InChI InChI=1S/C16H23N7O2/c1-9(2)14-11(25-3)4-5-12(21-14)20-10-8-13(19-7-6-17)22-23-15(10)16(18)24/h4-5,8-9H,6-7,17H2,1-3H3,(H2,18,24)(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007038
(CHEMBL3233058)Show SMILES Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007093
(CHEMBL3237564)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-5-1-2-6-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-9-8-11-4-3-7-13(11)22-16/h8-10,12,14H,1-7,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007115
(CHEMBL3237575)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r| Show InChI InChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007122
(CHEMBL3237576)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r| Show InChI InChI=1S/C19H27N7O3/c1-10(2)17-14(28-3)4-5-15(24-17)23-13-8-16(25-26-18(13)19(21)27)22-12-6-7-29-9-11(12)20/h4-5,8,10-12H,6-7,9,20H2,1-3H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007091
(CHEMBL3237562)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl |r| Show InChI InChI=1S/C17H22ClN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007097
(CHEMBL3237566 | US10112928, Compound I-34)Show InChI InChI=1S/C14H19N7O/c1-8-3-4-11(18-9(8)2)19-10-7-12(17-6-5-15)20-21-13(10)14(16)22/h3-4,7H,5-6,15H2,1-2H3,(H2,16,22)(H2,17,18,19,20) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007090
(CHEMBL3237561)Show SMILES Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007094
(CHEMBL3237565)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC |r| Show InChI InChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007103
(CHEMBL3237571)Show SMILES CC(C)(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C20H29N7O/c1-20(2,3)15-9-6-10-16(25-15)24-14-11-17(26-27-18(14)19(22)28)23-13-8-5-4-7-12(13)21/h6,9-13H,4-5,7-8,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007161
(CHEMBL3237579 | US10112928, Compound I-26)Show InChI InChI=1S/C16H23N7O2/c1-3-4-10-12(25-2)5-6-13(20-10)21-11-9-14(19-8-7-17)22-23-15(11)16(18)24/h5-6,9H,3-4,7-8,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007187
(CHEMBL3237581 | US10112928, Compound I-32)Show InChI InChI=1S/C15H20FN7O/c1-8(2)13-9(16)3-4-11(21-13)20-10-7-12(19-6-5-17)22-23-14(10)15(18)24/h3-4,7-8H,5-6,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007092
(CHEMBL3237563)Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-11(2)21-15(8-10)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007038
(CHEMBL3233058)Show SMILES Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007039
(CHEMBL3237556)Show SMILES CCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C18H25N7O/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007154
(CHEMBL3237577)Show InChI InChI=1S/C16H23N7O/c1-9(2)14-10(3)4-5-12(21-14)20-11-8-13(19-7-6-17)22-23-15(11)16(18)24/h4-5,8-9H,6-7,17H2,1-3H3,(H2,18,24)(H2,19,20,21,22) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007161
(CHEMBL3237579 | US10112928, Compound I-26)Show InChI InChI=1S/C16H23N7O2/c1-3-4-10-12(25-2)5-6-13(20-10)21-11-9-14(19-8-7-17)22-23-15(11)16(18)24/h5-6,9H,3-4,7-8,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22) | 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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007091
(CHEMBL3237562)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl |r| Show InChI InChI=1S/C17H22ClN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007101
(CHEMBL3237570)Show InChI InChI=1S/C19H24N6O/c20-19(26)18-15(23-16-8-4-7-14(22-16)12-9-10-12)11-17(24-25-18)21-13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H2,20,26)(H2,21,22,23,24) | 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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007160
(CHEMBL3237578 | US10112928, Compound I-20)Show InChI InChI=1S/C16H23N7O2/c1-9(2)14-11(25-3)4-5-12(21-14)20-10-8-13(19-7-6-17)22-23-15(10)16(18)24/h4-5,8-9H,6-7,17H2,1-3H3,(H2,18,24)(H2,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007106
(CHEMBL3237574)Show SMILES CCCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1OC |r| Show InChI InChI=1S/C20H29N7O2/c1-3-6-14-16(29-2)9-10-17(24-14)25-15-11-18(26-27-19(15)20(22)28)23-13-8-5-4-7-12(13)21/h9-13H,3-8,21H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007154
(CHEMBL3237577)Show InChI InChI=1S/C16H23N7O/c1-9(2)14-10(3)4-5-12(21-14)20-11-8-13(19-7-6-17)22-23-15(11)16(18)24/h4-5,8-9H,6-7,17H2,1-3H3,(H2,18,24)(H2,19,20,21,22) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007086
(CHEMBL3237558)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(n2)C2CC2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-4-1-2-5-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-7-3-6-13(22-16)11-8-9-11/h3,6-7,10-12,14H,1-2,4-5,8-9,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007099
(CHEMBL3237568)Show SMILES Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1 |r| Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)9-13(8-11)22-16-10-17(24-25-18(16)19(21)26)23-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,22,23,24)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007115
(CHEMBL3237575)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r| Show InChI InChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007093
(CHEMBL3237564)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-5-1-2-6-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-9-8-11-4-3-7-13(11)22-16/h8-10,12,14H,1-7,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,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 | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007097
(CHEMBL3237566 | US10112928, Compound I-34)Show InChI InChI=1S/C14H19N7O/c1-8-3-4-11(18-9(8)2)19-10-7-12(17-6-5-15)20-21-13(10)14(16)22/h3-4,7H,5-6,15H2,1-2H3,(H2,16,22)(H2,17,18,19,20) | 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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007122
(CHEMBL3237576)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r| Show InChI InChI=1S/C19H27N7O3/c1-10(2)17-14(28-3)4-5-15(24-17)23-13-8-16(25-26-18(13)19(21)27)22-12-6-7-29-9-11(12)20/h4-5,8,10-12H,6-7,9,20H2,1-3H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007088
(CHEMBL3237559)Show SMILES CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C19H27N7O/c1-11(2)13-8-5-9-16(22-13)24-15-10-17(25-26-18(15)19(21)27)23-14-7-4-3-6-12(14)20/h5,8-12,14H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t12-,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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007068
(CHEMBL3237557)Show SMILES CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C19H27N7O/c1-2-6-12-7-5-10-16(22-12)24-15-11-17(25-26-18(15)19(21)27)23-14-9-4-3-8-13(14)20/h5,7,10-11,13-14H,2-4,6,8-9,20H2,1H3,(H2,21,27)(H2,22,23,24,25)/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 | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007104
(CHEMBL3237572 | US10112928, Compound I-17)Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007186
(CHEMBL3237580)Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007100
(CHEMBL3237569 | US10112928, Compound I-4)Show InChI InChI=1S/C17H14FN5O2/c1-10-4-2-7-14(20-10)21-13-9-15(22-23-16(13)17(19)24)25-12-6-3-5-11(18)8-12/h2-9H,1H3,(H2,19,24)(H,20,21,22) | 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 | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007105
(CHEMBL3237573)Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1C |r| Show InChI InChI=1S/C20H29N7O/c1-11(2)18-12(3)8-9-16(25-18)24-15-10-17(26-27-19(15)20(22)28)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H2,22,28)(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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007187
(CHEMBL3237581 | US10112928, Compound I-32)Show InChI InChI=1S/C15H20FN7O/c1-8(2)13-9(16)3-4-11(21-13)20-10-7-12(19-6-5-17)22-23-14(10)15(18)24/h3-4,7-8H,5-6,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22) | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007105
(CHEMBL3237573)Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1C |r| Show InChI InChI=1S/C20H29N7O/c1-11(2)18-12(3)8-9-16(25-18)24-15-10-17(26-27-19(15)20(22)28)23-14-7-5-4-6-13(14)21/h8-11,13-14H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007103
(CHEMBL3237571)Show SMILES CC(C)(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C20H29N7O/c1-20(2,3)15-9-6-10-16(25-15)24-14-11-17(26-27-18(14)19(22)28)23-13-8-5-4-7-12(13)21/h6,9-13H,4-5,7-8,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007103
(CHEMBL3237571)Show SMILES CC(C)(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C20H29N7O/c1-20(2,3)15-9-6-10-16(25-15)24-14-11-17(26-27-18(14)19(22)28)23-13-8-5-4-7-12(13)21/h6,9-13H,4-5,7-8,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007099
(CHEMBL3237568)Show SMILES Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1 |r| Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)9-13(8-11)22-16-10-17(24-25-18(16)19(21)26)23-15-6-4-3-5-14(15)20/h7-10,14-15H,3-6,20H2,1-2H3,(H2,21,26)(H2,22,23,24)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007115
(CHEMBL3237575)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r| Show InChI InChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007086
(CHEMBL3237558)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(n2)C2CC2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-4-1-2-5-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-7-3-6-13(22-16)11-8-9-11/h3,6-7,10-12,14H,1-2,4-5,8-9,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007104
(CHEMBL3237572 | US10112928, Compound I-17)Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007091
(CHEMBL3237562)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl |r| Show InChI InChI=1S/C17H22ClN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007106
(CHEMBL3237574)Show SMILES CCCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1OC |r| Show InChI InChI=1S/C20H29N7O2/c1-3-6-14-16(29-2)9-10-17(24-14)25-15-11-18(26-27-19(15)20(22)28)23-13-8-5-4-7-12(13)21/h9-13H,3-8,21H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007094
(CHEMBL3237565)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC |r| Show InChI InChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007154
(CHEMBL3237577)Show InChI InChI=1S/C16H23N7O/c1-9(2)14-10(3)4-5-12(21-14)20-11-8-13(19-7-6-17)22-23-15(11)16(18)24/h4-5,8-9H,6-7,17H2,1-3H3,(H2,18,24)(H2,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007068
(CHEMBL3237557)Show SMILES CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C19H27N7O/c1-2-6-12-7-5-10-16(22-12)24-15-11-17(25-26-18(15)19(21)27)23-14-9-4-3-8-13(14)20/h5,7,10-11,13-14H,2-4,6,8-9,20H2,1H3,(H2,21,27)(H2,22,23,24,25)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007039
(CHEMBL3237556)Show SMILES CCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C18H25N7O/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007093
(CHEMBL3237564)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-5-1-2-6-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-9-8-11-4-3-7-13(11)22-16/h8-10,12,14H,1-7,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007088
(CHEMBL3237559)Show SMILES CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C19H27N7O/c1-11(2)13-8-5-9-16(22-13)24-15-10-17(25-26-18(15)19(21)27)23-14-7-4-3-6-12(14)20/h5,8-12,14H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007186
(CHEMBL3237580)Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007187
(CHEMBL3237581 | US10112928, Compound I-32)Show InChI InChI=1S/C15H20FN7O/c1-8(2)13-9(16)3-4-11(21-13)20-10-7-12(19-6-5-17)22-23-14(10)15(18)24/h3-4,7-8H,5-6,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007161
(CHEMBL3237579 | US10112928, Compound I-26)Show InChI InChI=1S/C16H23N7O2/c1-3-4-10-12(25-2)5-6-13(20-10)21-11-9-14(19-8-7-17)22-23-15(11)16(18)24/h5-6,9H,3-4,7-8,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007038
(CHEMBL3233058)Show SMILES Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007160
(CHEMBL3237578 | US10112928, Compound I-20)Show InChI InChI=1S/C16H23N7O2/c1-9(2)14-11(25-3)4-5-12(21-14)20-10-8-13(19-7-6-17)22-23-15(10)16(18)24/h4-5,8-9H,6-7,17H2,1-3H3,(H2,18,24)(H2,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007122
(CHEMBL3237576)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C |r| Show InChI InChI=1S/C19H27N7O3/c1-10(2)17-14(28-3)4-5-15(24-17)23-13-8-16(25-26-18(13)19(21)27)22-12-6-7-29-9-11(12)20/h4-5,8,10-12H,6-7,9,20H2,1-3H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007091
(CHEMBL3237562)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl |r| Show InChI InChI=1S/C17H22ClN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007090
(CHEMBL3237561)Show SMILES Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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| Purchase
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MCE
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| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007101
(CHEMBL3237570)Show InChI InChI=1S/C19H24N6O/c20-19(26)18-15(23-16-8-4-7-14(22-16)12-9-10-12)11-17(24-25-18)21-13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H2,20,26)(H2,21,22,23,24) | 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 | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007094
(CHEMBL3237565)Show SMILES COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC |r| Show InChI InChI=1S/C18H25N7O3/c1-27-13-7-8-14(23-18(13)28-2)22-12-9-15(24-25-16(12)17(20)26)21-11-6-4-3-5-10(11)19/h7-11H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t10-,11+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007093
(CHEMBL3237564)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-5-1-2-6-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-9-8-11-4-3-7-13(11)22-16/h8-10,12,14H,1-7,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomal fraction assessed as diclofenac-4'-hydroxylation preincubated for 10 mins followed by NADPH addition m... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomal fraction assessed as midazolam-1'-hydroxylation preincubated for 10 mins followed by NADPH addition me... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50007090
(CHEMBL3237561)Show SMILES Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomal fraction assessed as diclofenac-4'-hydroxylation preincubated for 10 mins followed by NADPH addition m... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007038
(CHEMBL3233058)Show SMILES Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50007093
(CHEMBL3237564)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-5-1-2-6-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-9-8-11-4-3-7-13(11)22-16/h8-10,12,14H,1-7,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomal fraction assessed as midazolam-1'-hydroxylation preincubated for 10 mins followed by NADPH addition me... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50007090
(CHEMBL3237561)Show SMILES Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomal fraction assessed as midazolam-1'-hydroxylation preincubated for 10 mins followed by NADPH addition me... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50007038
(CHEMBL3233058)Show SMILES Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomal fraction assessed as diclofenac-4'-hydroxylation preincubated for 10 mins followed by NADPH addition m... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50007038
(CHEMBL3233058)Show SMILES Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r| Show InChI InChI=1S/C17H23N7O/c1-10-5-4-8-14(20-10)22-13-9-15(23-24-16(13)17(19)25)21-12-7-3-2-6-11(12)18/h4-5,8-9,11-12H,2-3,6-7,18H2,1H3,(H2,19,25)(H2,20,21,22,23)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomal fraction assessed as midazolam-1'-hydroxylation preincubated for 10 mins followed by NADPH addition me... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50007093
(CHEMBL3237564)Show SMILES N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r| Show InChI InChI=1S/C19H25N7O/c20-12-5-1-2-6-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-9-8-11-4-3-7-13(11)22-16/h8-10,12,14H,1-7,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomal fraction assessed as diclofenac-4'-hydroxylation preincubated for 10 mins followed by NADPH addition m... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007090
(CHEMBL3237561)Show SMILES Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C |r| Show InChI InChI=1S/C18H25N7O/c1-10-7-8-15(21-11(10)2)23-14-9-16(24-25-17(14)18(20)26)22-13-6-4-3-5-12(13)19/h7-9,12-13H,3-6,19H2,1-2H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007188
(CHEMBL3237567)Show InChI InChI=1S/C14H18N6O2/c1-8-3-4-11(17-9(8)2)18-10-7-12(22-6-5-15)19-20-13(10)14(16)21/h3-4,7H,5-6,15H2,1-2H3,(H2,16,21)(H,17,18,19) | 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 | <5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
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