Found 3 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM98297' 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)) | BDBM98297
(US8481733, 109)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | 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)) | BDBM98297
(US8481733, 109)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | 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)) | BDBM98297
(US8481733, 109)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 88.6 | 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 | |
Search and Browse
