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PDB code 3R02

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Serine/threonine-protein kinase PIM

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:4.7,1.0,(33.37,-17.22,;34.71,-16.45,;34.71,-14.91,;36.04,-14.15,;37.36,-14.92,;37.38,-16.46,;36.04,-17.22,;38.7,-14.15,;38.69,-12.61,;37.36,-11.84,;37.36,-10.3,;36.03,-9.53,;38.69,-9.53,;40.02,-10.29,;41.49,-9.81,;42.4,-11.05,;41.5,-12.3,;40.03,-11.83,;43.94,-11.04,;44.72,-12.37,;44.7,-9.7,)|
Show InChI InChI=1/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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MMDB

KEGG

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PC cid
PC sid
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Similars

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output