Found 4 hits for monomerid = 50096230 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)) | BDBM50096230
(CHEMBL3594178)Show SMILES CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-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,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)| Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21?,24-,25+,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49 | 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)) | BDBM50096230
(CHEMBL3594178)Show SMILES CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-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,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)| Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21?,24-,25+,27-,28+/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
| 621 | 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)) | BDBM50096230
(CHEMBL3594178)Show SMILES CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-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,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)| Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21?,24-,25+,27-,28+/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 | |
PAK 1/CDC42
(Homo sapiens (Human)) | BDBM50096230
(CHEMBL3594178)Show SMILES CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-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,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)| Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21?,24-,25+,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 |
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 | |