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PubMed code 25050155

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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


(Homo sapiens (Human))
BDBM50053685
PNG
(CHEMBL3318855 | US9328106, 341)
Show SMILES C[C@H]1O[C@H](C[C@@H](N)[C@]1(C)O)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C21H23F2N5O3S/c1-10-21(2,30)16(24)7-15(31-10)18-13(8-25-28(18)3)26-19(29)14-9-32-20(27-14)17-11(22)5-4-6-12(17)23/h4-6,8-10,15-16,30H,7,24H2,1-3H3,(H,26,29)/t10-,15-,16-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00300n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 5: 730-1 (2014)


Article DOI: 10.1021/ml5001678
BindingDB Entry DOI: 10.7270/Q2SN0BMH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50053679
PNG
(CHEMBL3318853 | US9328106, 115)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@]12CC[C@H](O1)[C@@H](N)CC2
Show InChI InChI=1S/C21H22F2N6O2S/c1-29-17(21-7-5-12(24)14(31-21)6-8-21)13(9-26-29)27-19(30)16-18(25)32-20(28-16)15-10(22)3-2-4-11(15)23/h2-4,9,12,14H,5-8,24-25H2,1H3,(H,27,30)/t12-,14-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00600n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 5: 730-1 (2014)


Article DOI: 10.1021/ml5001678
BindingDB Entry DOI: 10.7270/Q2SN0BMH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50053683
PNG
(CHEMBL3318854 | US9328106, 135)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@@H]1C[C@@H](F)[C@H](N)CCO1
Show InChI InChI=1S/C20H21F3N6O2S/c1-29-17(14-7-11(23)12(24)5-6-31-14)13(8-26-29)27-19(30)16-18(25)32-20(28-16)15-9(21)3-2-4-10(15)22/h2-4,8,11-12,14H,5-7,24-25H2,1H3,(H,27,30)/t11-,12-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 5: 730-1 (2014)


Article DOI: 10.1021/ml5001678
BindingDB Entry DOI: 10.7270/Q2SN0BMH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50053688
PNG
(CHEMBL3318856 | US9328106, 380)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(cc2F)[C@H]2CCCO2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1
Show InChI InChI=1S/C24H26F3N5O3S/c1-32-22(20-5-4-16(28)15(27)10-35-20)17(9-29-32)30-23(33)18-11-36-24(31-18)21-13(25)7-12(8-14(21)26)19-3-2-6-34-19/h7-9,11,15-16,19-20H,2-6,10,28H2,1H3,(H,30,33)/t15-,16-,19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0710n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 5: 730-1 (2014)


Article DOI: 10.1021/ml5001678
BindingDB Entry DOI: 10.7270/Q2SN0BMH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%