BDBM92120 erk000556

SMILES Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key InChIKey=AMVPTIUVISUSIV-XMMPIXPASA-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 = 92120   

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

LigandPNGBDBM92120(erk000556)
Show SMILES Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C27H27N5O2/c1-17-14-29-27(31-22-12-6-10-18-9-5-11-21(18)22)32-25(17)20-13-23(28-15-20)26(34)30-24(16-33)19-7-3-2-4-8-19/h2-4,6-8,10,12-15,24,28,33H,5,9,11,16H2,1H3,(H,30,34)(H,29,31,32)/t24-/m1/s1
Affinity DataKi:  3nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92120(erk000556)
Show SMILES Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C27H27N5O2/c1-17-14-29-27(31-22-12-6-10-18-9-5-11-21(18)22)32-25(17)20-13-23(28-15-20)26(34)30-24(16-33)19-7-3-2-4-8-19/h2-4,6-8,10,12-15,24,28,33H,5,9,11,16H2,1H3,(H,30,34)(H,29,31,32)/t24-/m1/s1
Affinity DataKi:  3nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed