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BDBM272554 US10065967, Example 20::US9624228, Example 2::US9745307, Example 20

SMILES: C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1

InChI Key: InChIKey=PBKCHKWZGYZSAN-OAHLLOKOSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 272554   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1S/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US10065967 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 (ERK2)


(Homo sapiens (human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1S/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1 (ERK2)


(Homo sapiens (human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1S/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1S/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/m1/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Kura Oncology, Inc.

US Patent


Assay Description
The inhibition of ERK activity by the compounds disclosed herein was determined using the Z′-LYTE kinase assay kit (Life Technologies) with a S...


US Patent US9624228 (2017)

More data for this
Ligand-Target Pair