BDBM92229 erk000697

SMILES CC[C@@H](CO)Nc1ncc(F)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1

InChI Key InChIKey=KCKYMDMIPKHNKE-MAUKXSAKSA-N

Data  2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 92229   

TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92229(erk000697)
Show SMILES CC[C@@H](CO)Nc1ncc(F)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClFN5O3/c1-2-15(10-29)26-21-25-9-16(23)19(28-21)13-7-17(24-8-13)20(31)27-18(11-30)12-4-3-5-14(22)6-12/h3-9,15,18,24,29-30H,2,10-11H2,1H3,(H,27,31)(H,25,26,28)/t15-,18+/m0/s1
Affinity DataKi:  3nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92229(erk000697)
Show SMILES CC[C@@H](CO)Nc1ncc(F)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClFN5O3/c1-2-15(10-29)26-21-25-9-16(23)19(28-21)13-7-17(24-8-13)20(31)27-18(11-30)12-4-3-5-14(22)6-12/h3-9,15,18,24,29-30H,2,10-11H2,1H3,(H,27,31)(H,25,26,28)/t15-,18+/m0/s1
Affinity DataKi:  3nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed