new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 427 hits with Last Name = 'castillo' and Initial = 'j'   
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-3


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.00100n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
0.00100n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.00100n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445133
PNG
(CHEMBL3103869)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00200n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.00200n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445124
PNG
(CHEMBL3103868)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00200n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.00200n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.00300n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50445124
PNG
(CHEMBL3103868)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00400n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445124
PNG
(CHEMBL3103868)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00600n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50445133
PNG
(CHEMBL3103869)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00600n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445133
PNG
(CHEMBL3103869)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00700n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0170n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445129
PNG
(CHEMBL3103860)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccn1 |r|
Show InChI InChI=1S/C21H23N7O/c22-14-4-3-11-28(13-14)19-8-10-24-12-18(19)27-21(29)20-15(23)6-7-17(26-20)16-5-1-2-9-25-16/h1-2,5-10,12,14H,3-4,11,13,22-23H2,(H,27,29)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50005211
PNG
(CHEMBL3103866)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H23ClN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50005211
PNG
(CHEMBL3103866)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H23ClN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445125
PNG
(CHEMBL3103864)
Show SMILES COc1ccccc1-c1ccc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C23H26N6O2/c1-31-21-7-3-2-6-16(21)18-9-8-17(25)22(27-18)23(30)28-19-13-26-11-10-20(19)29-12-4-5-15(24)14-29/h2-3,6-11,13,15H,4-5,12,14,24-25H2,1H3,(H,28,30)/t15-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445125
PNG
(CHEMBL3103864)
Show SMILES COc1ccccc1-c1ccc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C23H26N6O2/c1-31-21-7-3-2-6-16(21)18-9-8-17(25)22(27-18)23(30)28-19-13-26-11-10-20(19)29-12-4-5-15(24)14-29/h2-3,6-11,13,15H,4-5,12,14,24-25H2,1H3,(H,28,30)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445126
PNG
(CHEMBL3103863)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccnc(N)n1 |r|
Show InChI InChI=1S/C20H23N9O/c21-12-2-1-9-29(11-12)17-6-7-24-10-16(17)27-19(30)18-13(22)3-4-14(26-18)15-5-8-25-20(23)28-15/h3-8,10,12H,1-2,9,11,21-22H2,(H,27,30)(H2,23,25,28)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445128
PNG
(CHEMBL3103861)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1cccnc1 |r|
Show InChI InChI=1S/C21H23N7O/c22-15-4-2-10-28(13-15)19-7-9-25-12-18(19)27-21(29)20-16(23)5-6-17(26-20)14-3-1-8-24-11-14/h1,3,5-9,11-12,15H,2,4,10,13,22-23H2,(H,27,29)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445127
PNG
(CHEMBL3103862)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccncc1 |r|
Show InChI InChI=1S/C21H23N7O/c22-15-2-1-11-28(13-15)19-7-10-25-12-18(19)27-21(29)20-16(23)3-4-17(26-20)14-5-8-24-9-6-14/h3-10,12,15H,1-2,11,13,22-23H2,(H,27,29)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50005211
PNG
(CHEMBL3103866)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H23ClN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118332
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-6-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-6-2-1-5-20(21)24)9-11-26-12-14-27(15-13-26)19-7-8-22-18(16-19)4-3-10-25-22/h1-8,10,16-17,23,28H,9,11-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.70n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445129
PNG
(CHEMBL3103860)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccn1 |r|
Show InChI InChI=1S/C21H23N7O/c22-14-4-3-11-28(13-14)19-8-10-24-12-18(19)27-21(29)20-15(23)6-7-17(26-20)16-5-1-2-9-25-16/h1-2,5-10,12,14H,3-4,11,13,22-23H2,(H,27,29)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445126
PNG
(CHEMBL3103863)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccnc(N)n1 |r|
Show InChI InChI=1S/C20H23N9O/c21-12-2-1-9-29(11-12)17-6-7-24-10-16(17)27-19(30)18-13(22)3-4-14(26-18)15-5-8-25-20(23)28-15/h3-8,10,12H,1-2,9,11,21-22H2,(H,27,30)(H2,23,25,28)/t12-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445123
PNG
(CHEMBL3103865)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N6O/c24-23(25,26)16-6-2-1-5-15(16)18-8-7-17(28)21(30-18)22(33)31-19-12-29-10-9-20(19)32-11-3-4-14(27)13-32/h1-2,5-10,12,14H,3-4,11,13,27-28H2,(H,31,33)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445123
PNG
(CHEMBL3103865)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N6O/c24-23(25,26)16-6-2-1-5-15(16)18-8-7-17(28)21(30-18)22(33)31-19-12-29-10-9-20(19)32-11-3-4-14(27)13-32/h1-2,5-10,12,14H,3-4,11,13,27-28H2,(H,31,33)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118338
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(benzo[b]thiophen-5...)
Show SMILES OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
3.80n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL




J Med Chem 36: 2745-50 (1993)


BindingDB Entry DOI: 10.7270/Q2FX7B2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50445130
PNG
(CHEMBL3103859)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(Oc2ccccc2)ccc1N |r|
Show InChI InChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445128
PNG
(CHEMBL3103861)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1cccnc1 |r|
Show InChI InChI=1S/C21H23N7O/c22-15-4-2-10-28(13-15)19-7-9-25-12-18(19)27-21(29)20-16(23)5-6-17(26-20)14-3-1-8-24-11-14/h1,3,5-9,11-12,15H,2,4,10,13,22-23H2,(H,27,29)/t15-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118328
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1H-indol-4-yl)-piper...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
4.10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50118339
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-3-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(21-17-29-24-8-4-2-6-20(21)24)9-10-26-11-13-27(14-12-26)19-15-18-5-1-3-7-22(18)25-16-19/h1-8,15-17,23,28H,9-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445127
PNG
(CHEMBL3103862)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccncc1 |r|
Show InChI InChI=1S/C21H23N7O/c22-15-2-1-11-28(13-15)19-7-10-25-12-18(19)27-21(29)20-16(23)3-4-17(26-20)14-5-8-24-9-6-14/h3-10,12,15H,1-2,11,13,22-23H2,(H,27,29)/t15-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50102331
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H26N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14H,8-13H2,1-3H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118328
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(1H-indol-4-yl)-piper...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118326
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.70n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118330
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-[4-(1H-indol-...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50445127
PNG
(CHEMBL3103862)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccncc1 |r|
Show InChI InChI=1S/C21H23N7O/c22-15-2-1-11-28(13-15)19-7-10-25-12-18(19)27-21(29)20-16(23)3-4-17(26-20)14-5-8-24-9-6-14/h3-10,12,15H,1-2,11,13,22-23H2,(H,27,29)/t15-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50445129
PNG
(CHEMBL3103860)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccn1 |r|
Show InChI InChI=1S/C21H23N7O/c22-14-4-3-11-28(13-14)19-8-10-24-12-18(19)27-21(29)20-15(23)6-7-17(26-20)16-5-1-2-9-25-16/h1-2,5-10,12,14H,3-4,11,13,22-23H2,(H,27,29)/t14-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50118324
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-22(20-17-29-23-9-2-1-7-19(20)23)10-12-26-13-15-27(16-14-26)21-8-3-5-18-6-4-11-25-24(18)21/h1-9,11,17,22,28H,10,12-16H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.30n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates


J Med Chem 45: 4128-39 (2002)


BindingDB Entry DOI: 10.7270/Q2X63M87
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 427 total )  |  Next  |  Last  >>
Jump to: