Found 3 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM98296' 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)) | BDBM98296
(US8481733, 108)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;3.15,-.3,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)| Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98296
(US8481733, 108)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;3.15,-.3,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)| Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98296
(US8481733, 108)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;3.15,-.3,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)| Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
US Patent
| Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity. |
US Patent US8481733 (2013)
BindingDB Entry DOI: 10.7270/Q2XD109J |
More data for this
Ligand-Target Pair | |
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