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SMILES: NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50578351   
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 8


(Mus musculus)
BDBM50578351
PNG
(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578351
PNG
(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578351
PNG
(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair