Found 2 hits Enzyme Inhibition Constant Data 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 |
Mitogen-activated protein kinase 1
(360/360 = 100%)† (Homo sapiens (Human)) | BDBM91996
(erk000075)Show SMILES Cc1onc(c1-c1ccnc(NC2CCC(O)CC2)n1)-c1ccccc1 |(1.33,-.77,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;-1.7,-1.23,;-3.16,-.76,;-4.31,-1.79,;-3.99,-3.29,;-5.13,-4.32,;-6.59,-3.85,;-7.74,-4.88,;-9.2,-4.4,;-9.52,-2.9,;-10.99,-2.42,;-8.38,-1.87,;-6.92,-2.34,;-2.52,-3.77,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,)| Show InChI InChI=1S/C20H22N4O2/c1-13-18(19(24-26-13)14-5-3-2-4-6-14)17-11-12-21-20(23-17)22-15-7-9-16(25)10-8-15/h2-6,11-12,15-16,25H,7-10H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB D3R
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description Photometric_Method2 |
D3R 222: (2015)
BindingDB Entry DOI: 10.7270/Q2S46QSD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(360/360 = 100%)† (Homo sapiens (Human)) | BDBM91996
(erk000075)Show SMILES Cc1onc(c1-c1ccnc(NC2CCC(O)CC2)n1)-c1ccccc1 |(1.33,-.77,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;-1.7,-1.23,;-3.16,-.76,;-4.31,-1.79,;-3.99,-3.29,;-5.13,-4.32,;-6.59,-3.85,;-7.74,-4.88,;-9.2,-4.4,;-9.52,-2.9,;-10.99,-2.42,;-8.38,-1.87,;-6.92,-2.34,;-2.52,-3.77,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,)| Show InChI InChI=1S/C20H22N4O2/c1-13-18(19(24-26-13)14-5-3-2-4-6-14)17-11-12-21-20(23-17)22-15-7-9-16(25)10-8-15/h2-6,11-12,15-16,25H,7-10H2,1H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSAR
| Assay Description Assay 1 ... |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |