Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50019421 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 |
|---|
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204580
(CHEMBL247667 | N-phenethyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES C(Cc1ccccc1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204580
(CHEMBL247667 | N-phenethyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES C(Cc1ccccc1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35) | PDB
UniProtKB/SwissProt
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204590
((S)-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-5...)Show SMILES CN1CCN(Cc2ccc(cc2)-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N5O2/c1-33-13-15-34(16-14-33)19-21-9-11-23(12-10-21)27-25(22-6-3-2-4-7-22)26-28(31-20-32-29(26)36-27)30-18-24-8-5-17-35-24/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,30,31,32)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204590
((S)-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-5...)Show SMILES CN1CCN(Cc2ccc(cc2)-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N5O2/c1-33-13-15-34(16-14-33)19-21-9-11-23(12-10-21)27-25(22-6-3-2-4-7-22)26-28(31-20-32-29(26)36-27)30-18-24-8-5-17-35-24/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,30,31,32)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204586
(6-(3-methoxy-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5...)Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C31H36N4O4/c1-36-26-19-23(12-13-25(26)38-18-16-35-14-6-3-7-15-35)29-27(22-9-4-2-5-10-22)28-30(33-21-34-31(28)39-29)32-20-24-11-8-17-37-24/h2,4-5,9-10,12-13,19,21,24H,3,6-8,11,14-18,20H2,1H3,(H,32,33,34)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204583
((S)-(4-ethylpiperazin-1-yl)(4-(5-phenyl-4-((tetrah...)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C30H33N5O3/c1-2-34-14-16-35(17-15-34)30(36)23-12-10-22(11-13-23)27-25(21-7-4-3-5-8-21)26-28(32-20-33-29(26)38-27)31-19-24-9-6-18-37-24/h3-5,7-8,10-13,20,24H,2,6,9,14-19H2,1H3,(H,31,32,33)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204585
((S)-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)pheny...)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C29H32N4O3/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-34-24)31-20-32-29(26)36-27(25)22-10-12-23(13-11-22)35-18-16-33-14-4-5-15-33/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H,30,31,32)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204576
(6-(4-morpholinophenyl)-5-phenyl-N-(2-(piperazin-1-...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C28H32N6O2/c1-2-4-21(5-3-1)24-25-27(30-12-15-33-13-10-29-11-14-33)31-20-32-28(25)36-26(24)22-6-8-23(9-7-22)34-16-18-35-19-17-34/h1-9,20,29H,10-19H2,(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204583
((S)-(4-ethylpiperazin-1-yl)(4-(5-phenyl-4-((tetrah...)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C30H33N5O3/c1-2-34-14-16-35(17-15-34)30(36)23-12-10-22(11-13-23)27-25(21-7-4-3-5-8-21)26-28(32-20-33-29(26)38-27)31-19-24-9-6-18-37-24/h3-5,7-8,10-13,20,24H,2,6,9,14-19H2,1H3,(H,31,32,33)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204588
(6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl-N-(...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C28H34N6O2/c1-33(2)18-19-35-23-10-8-22(9-11-23)26-24(21-6-4-3-5-7-21)25-27(31-20-32-28(25)36-26)30-14-17-34-15-12-29-13-16-34/h3-11,20,29H,12-19H2,1-2H3,(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204591
(5-phenyl-N-(2-(piperidin-4-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CC1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H37N5O2/c1-2-6-24(7-3-1)27-28-30(33-17-14-23-12-15-32-16-13-23)34-22-35-31(28)38-29(27)25-8-10-26(11-9-25)37-21-20-36-18-4-5-19-36/h1-3,6-11,22-23,32H,4-5,12-21H2,(H,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204585
((S)-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)pheny...)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C29H32N4O3/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-34-24)31-20-32-29(26)36-27(25)22-10-12-23(13-11-22)35-18-16-33-14-4-5-15-33/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H,30,31,32)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204576
(6-(4-morpholinophenyl)-5-phenyl-N-(2-(piperazin-1-...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C28H32N6O2/c1-2-4-21(5-3-1)24-25-27(30-12-15-33-13-10-29-11-14-33)31-20-32-28(25)36-26(24)22-6-8-23(9-7-22)34-16-18-35-19-17-34/h1-9,20,29H,10-19H2,(H,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204592
(6-(3-methoxy-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5...)Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C32H40N6O3/c1-39-27-22-25(10-11-26(27)40-21-20-37-15-6-3-7-16-37)30-28(24-8-4-2-5-9-24)29-31(35-23-36-32(29)41-30)34-14-19-38-17-12-33-13-18-38/h2,4-5,8-11,22-23,33H,3,6-7,12-21H2,1H3,(H,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204584
((4-(5-phenyl-4-(2-(piperazin-1-yl)ethylamino)furo[...)Show SMILES O=C(N1CCCCC1)c1ccc(cc1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C30H34N6O2/c37-30(36-16-5-2-6-17-36)24-11-9-23(10-12-24)27-25(22-7-3-1-4-8-22)26-28(33-21-34-29(26)38-27)32-15-20-35-18-13-31-14-19-35/h1,3-4,7-12,21,31H,2,5-6,13-20H2,(H,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204589
((S)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)f...)Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 Show InChI InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m0/s1 | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204577
(6-(4-(morpholinomethyl)phenyl)-5-phenyl-N-(2-(pipe...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H34N6O2/c1-2-4-23(5-3-1)25-26-28(31-12-15-34-13-10-30-11-14-34)32-21-33-29(26)37-27(25)24-8-6-22(7-9-24)20-35-16-18-36-19-17-35/h1-9,21,30H,10-20H2,(H,31,32,33) | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204586
(6-(3-methoxy-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5...)Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C31H36N4O4/c1-36-26-19-23(12-13-25(26)38-18-16-35-14-6-3-7-15-35)29-27(22-9-4-2-5-10-22)28-30(33-21-34-31(28)39-29)32-20-24-11-8-17-37-24/h2,4-5,9-10,12-13,19,21,24H,3,6-8,11,14-18,20H2,1H3,(H,32,33,34)/t24-/m0/s1 | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204575
(6-(4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-y...)Show SMILES CN1CCOc2cc(ccc12)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N6O2/c1-32-15-16-34-22-17-20(7-8-21(22)32)25-23(19-5-3-2-4-6-19)24-26(30-18-31-27(24)35-25)29-11-14-33-12-9-28-10-13-33/h2-8,17-18,28H,9-16H2,1H3,(H,29,30,31) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
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| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM17714
(5,6-diphenyl-N-[2-(piperazin-1-yl)ethyl]furo[2,3-d...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) | PDB
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Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204578
(CHEMBL399008 | N-tert-butyl-5-phenyl-6-(4-(2-(pyrr...)Show SMILES CC(C)(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N4O2/c1-28(2,3)31-26-24-23(20-9-5-4-6-10-20)25(34-27(24)30-19-29-26)21-11-13-22(14-12-21)33-18-17-32-15-7-8-16-32/h4-6,9-14,19H,7-8,15-18H2,1-3H3,(H,29,30,31) | PDB
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| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204584
((4-(5-phenyl-4-(2-(piperazin-1-yl)ethylamino)furo[...)Show SMILES O=C(N1CCCCC1)c1ccc(cc1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C30H34N6O2/c37-30(36-16-5-2-6-17-36)24-11-9-23(10-12-24)27-25(22-7-3-1-4-8-22)26-28(33-21-34-29(26)38-27)32-15-20-35-18-13-31-14-19-35/h1,3-4,7-12,21,31H,2,5-6,13-20H2,(H,32,33,34) | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204577
(6-(4-(morpholinomethyl)phenyl)-5-phenyl-N-(2-(pipe...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H34N6O2/c1-2-4-23(5-3-1)25-26-28(31-12-15-34-13-10-30-11-14-34)32-21-33-29(26)37-27(25)24-8-6-22(7-9-24)20-35-16-18-36-19-17-35/h1-9,21,30H,10-20H2,(H,31,32,33) | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204575
(6-(4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-y...)Show SMILES CN1CCOc2cc(ccc12)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N6O2/c1-32-15-16-34-22-17-20(7-8-21(22)32)25-23(19-5-3-2-4-6-19)24-26(30-18-31-27(24)35-25)29-11-14-33-12-9-28-10-13-33/h2-8,17-18,28H,9-16H2,1H3,(H,29,30,31) | PDB
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204589
((S)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)f...)Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 Show InChI InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m0/s1 | PDB
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| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204588
(6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl-N-(...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C28H34N6O2/c1-33(2)18-19-35-23-10-8-22(9-11-23)26-24(21-6-4-3-5-7-21)25-27(31-20-32-28(25)36-26)30-14-17-34-15-12-29-13-16-34/h3-11,20,29H,12-19H2,1-2H3,(H,30,31,32) | PDB
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| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM17714
(5,6-diphenyl-N-[2-(piperazin-1-yl)ethyl]furo[2,3-d...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) | PDB
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| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204591
(5-phenyl-N-(2-(piperidin-4-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CC1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H37N5O2/c1-2-6-24(7-3-1)27-28-30(33-17-14-23-12-15-32-16-13-23)34-22-35-31(28)38-29(27)25-8-10-26(11-9-25)37-21-20-36-18-4-5-19-36/h1-3,6-11,22-23,32H,4-5,12-21H2,(H,33,34,35) | PDB
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| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
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| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204581
((R)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)f...)Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@H]1CCCO1 Show InChI InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m1/s1 | PDB
MMDB
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PubMed
| n/a | n/a | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 537 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204592
(6-(3-methoxy-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5...)Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1 Show InChI InChI=1S/C32H40N6O3/c1-39-27-22-25(10-11-26(27)40-21-20-37-15-6-3-7-16-37)30-28(24-8-4-2-5-9-24)29-31(35-23-36-32(29)41-30)34-14-19-38-17-12-33-13-18-38/h2,4-5,8-11,22-23,33H,3,6-7,12-21H2,1H3,(H,34,35,36) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 586 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204578
(CHEMBL399008 | N-tert-butyl-5-phenyl-6-(4-(2-(pyrr...)Show SMILES CC(C)(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N4O2/c1-28(2,3)31-26-24-23(20-9-5-4-6-10-20)25(34-27(24)30-19-29-26)21-11-13-22(14-12-21)33-18-17-32-15-7-8-16-32/h4-6,9-14,19H,7-8,15-18H2,1-3H3,(H,29,30,31) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ack1 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 914 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Jak3 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 992 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ZAP70 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204581
((R)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)f...)Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@H]1CCCO1 Show InChI InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Jak3 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ZAP70 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50204579
(CHEMBL247866 | N-isopropyl-5-phenyl-6-(4-(2-(pyrro...)Show SMILES CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50204582
(5-phenyl-N-(2-(piperazin-1-yl)ethyl)-6-(4-(2-(pyrr...)Show SMILES C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O2/c1-2-6-23(7-3-1)26-27-29(32-14-19-36-17-12-31-13-18-36)33-22-34-30(27)38-28(26)24-8-10-25(11-9-24)37-21-20-35-15-4-5-16-35/h1-3,6-11,22,31H,4-5,12-21H2,(H,32,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Jak2 |
Bioorg Med Chem Lett 17: 2305-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.057
BindingDB Entry DOI: 10.7270/Q2697365 |
More data for this
Ligand-Target Pair | |
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