Found 3 hits for monomerid = 50096240 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
PAK 1/CDC42
(Homo sapiens (Human)) | BDBM50096240
(CHEMBL3594181)Show SMILES C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)| Show InChI InChI=1S/C34H49N5O5/c1-5-22(3)30-34(44)39-19-13-12-18-29(39)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-38(4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of PAK1 (unknown origin) |
ACS Med Chem Lett 6: 711-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50096240
(CHEMBL3594181)Show SMILES C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)| Show InChI InChI=1S/C34H49N5O5/c1-5-22(3)30-34(44)39-19-13-12-18-29(39)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-38(4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of PAK4 (unknown origin) |
ACS Med Chem Lett 6: 711-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50096240
(CHEMBL3594181)Show SMILES C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)| Show InChI InChI=1S/C34H49N5O5/c1-5-22(3)30-34(44)39-19-13-12-18-29(39)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-38(4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/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
| >5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) |
ACS Med Chem Lett 6: 711-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT |
More data for this Ligand-Target Pair | |