BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'borzillo' and Initial = 'g'   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322393
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322395
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r|
Show InChI InChI=1S/C19H20F2N6O/c1-11-7-23-16-15(11)17(26-10-25-16)27-5-4-19(22,9-27)8-24-18(28)13-3-2-12(20)6-14(13)21/h2-3,6-7,10H,4-5,8-9,22H2,1H3,(H,24,28)(H,23,25,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322394
PNG
((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2F)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C18H17ClF2N6O/c19-12-6-23-15-14(12)16(26-9-25-15)27-4-3-18(22,8-27)7-24-17(28)11-2-1-10(20)5-13(11)21/h1-2,5-6,9H,3-4,7-8,22H2,(H,24,28)(H,23,25,26)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322401
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r|
Show InChI InChI=1S/C20H23FN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322397
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r|
Show InChI InChI=1S/C20H23ClN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24855
PNG
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)
Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24855
PNG
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)
Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.40n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322402
PNG
((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C18H18ClFN6O/c19-13-7-22-15-14(13)16(25-10-24-15)26-6-5-18(21,9-26)8-23-17(27)11-1-3-12(20)4-2-11/h1-4,7,10H,5-6,8-9,21H2,(H,23,27)(H,22,24,25)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322403
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r|
Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24848
PNG
(5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Fc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18FN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.10n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322398
PNG
((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES N[C@]1(CNC(=O)c2ccc(Cl)cc2)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C18H18Cl2N6O/c19-12-3-1-11(2-4-12)17(27)23-8-18(21)5-6-26(9-18)16-14-13(20)7-22-15(14)24-10-25-16/h1-4,7,10H,5-6,8-9,21H2,(H,23,27)(H,22,24,25)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322388
PNG
(5-chloro-4-(2,8-diazaspiro[4.5]decan-2-yl)-7H-pyrr...)
Show SMILES Clc1c[nH]c2ncnc(N3CCC4(C3)CCNCC4)c12
Show InChI InChI=1S/C14H18ClN5/c15-10-7-17-12-11(10)13(19-9-18-12)20-6-3-14(8-20)1-4-16-5-2-14/h7,9,16H,1-6,8H2,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24847
PNG
(5-chloro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Clc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18ClN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.80n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24853
PNG
(1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.80n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385642
PNG
(CHEMBL2043435)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O/c1-29-11-10-15(12-18(29)19-27-16-4-2-3-5-17(16)28-19)26-20(30)25-14-8-6-13(7-9-14)21(22,23)24/h2-9,15,18H,10-12H2,1H3,(H,27,28)(H2,25,26,30)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50249522
PNG
(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Smoothened homolog


(Mus musculus)		BDBM50385635
PNG
(CHEMBL2043437)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385637
PNG
(CHEMBL2043430)
Show SMILES O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H17N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24846
PNG
(1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-dihydrospi...)
Show SMILES C1N(c2ccccc2C11CCNCC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H19N5/c1-2-4-15-14(3-1)18(6-9-19-10-7-18)11-23(15)17-13-5-8-20-16(13)21-12-22-17/h1-5,8,12,19H,6-7,9-11H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.30n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24852
PNG
(1-{5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Clc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C18H18ClN5/c19-13-9-21-16-15(13)17(23-11-22-16)24-10-18(5-7-20-8-6-18)12-3-1-2-4-14(12)24/h1-4,9,11,20H,5-8,10H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.80n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322403
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r|
Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322396
PNG
((S)-N-((3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2F)CCN(C1)c1ncnc2[nH]cc(C#N)c12 |r|
Show InChI InChI=1S/C19H17F2N7O/c20-12-1-2-13(14(21)5-12)18(29)25-8-19(23)3-4-28(9-19)17-15-11(6-22)7-24-16(15)26-10-27-17/h1-2,5,7,10H,3-4,8-9,23H2,(H,25,29)(H,24,26,27)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322404
PNG
((S)-N-((3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2)CCN(C1)c1ncnc2[nH]cc(C#N)c12 |r|
Show InChI InChI=1S/C19H18FN7O/c20-14-3-1-12(2-4-14)18(28)24-9-19(22)5-6-27(10-19)17-15-13(7-21)8-23-16(15)25-11-26-17/h1-4,8,11H,5-6,9-10,22H2,(H,24,28)(H,23,25,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322393
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT2 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322399
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r|
Show InChI InChI=1S/C19H21ClN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 11.4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322393
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT3 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24849
PNG
(1'-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-...)
Show SMILES CN1CCC2(CN(c3ccccc23)c2ncnc3[nH]ccc23)CC1
Show InChI InChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 12.7n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322412
PNG
(CHEMBL1171840 | phenyl(3-amino-1-(5-methyl-7H-pyrr...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)Oc4ccccc4)C3)c12
Show InChI InChI=1S/C19H22N6O2/c1-13-9-21-16-15(13)17(24-12-23-16)25-8-7-19(20,11-25)10-22-18(26)27-14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11,20H2,1H3,(H,22,26)(H,21,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322400
PNG
((S)-N-((3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES N[C@]1(CNC(=O)c2ccc(Cl)cc2)CCN(C1)c1ncnc2[nH]cc(C#N)c12 |r|
Show InChI InChI=1S/C19H18ClN7O/c20-14-3-1-12(2-4-14)18(28)24-9-19(22)5-6-27(10-19)17-15-13(7-21)8-23-16(15)25-11-26-17/h1-4,8,11H,5-6,9-10,22H2,(H,24,28)(H,23,25,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385643
PNG
(CHEMBL2043436)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H22ClN5O/c1-26-11-10-15(23-20(27)22-14-8-6-13(21)7-9-14)12-18(26)19-24-16-4-2-3-5-17(16)25-19/h2-9,15,18H,10-12H2,1H3,(H,24,25)(H2,22,23,27)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385641
PNG
(CHEMBL2043434)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C2)c2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-26-12-11-15(23-21(27)22-14-7-9-16(28-2)10-8-14)13-19(26)20-24-17-5-3-4-6-18(17)25-20/h3-10,15,19H,11-13H2,1-2H3,(H,24,25)(H2,22,23,27)/t15-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322405
PNG
(CHEMBL1171672 | N-((3-amino-1-(5-methyl-7H-pyrrolo...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4cccc(F)c4)C3)c12
Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-6-5-19(21,10-26)9-23-18(27)13-3-2-4-14(20)7-13/h2-4,7-8,11H,5-6,9-10,21H2,1H3,(H,23,27)(H,22,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24845
PNG
(5-chloro-4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5...)
Show SMILES Clc1c[nH]c2ncnc(N3CCc4nc[nH]c4C3)c12
Show InChI InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 42n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Smoothened homolog


(Mus musculus)		BDBM50385638
PNG
(CHEMBL2043432)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C22H24N4O3/c1-26-9-8-15(13-18(26)21-24-16-4-2-3-5-17(16)25-21)23-22(27)14-6-7-19-20(12-14)29-11-10-28-19/h2-7,12,15,18H,8-11,13H2,1H3,(H,23,27)(H,24,25)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322408
PNG
(CHEMBL1171501 | N-((3-amino-1-(5-methyl-7H-pyrrolo...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccccc4F)C3)c12
Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-4-2-3-5-14(13)20/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385640
PNG
(CHEMBL2043433)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C22H25N5O3/c1-27-9-8-15(12-18(27)21-25-16-4-2-3-5-17(16)26-21)24-22(28)23-14-6-7-19-20(13-14)30-11-10-29-19/h2-7,13,15,18H,8-12H2,1H3,(H,25,26)(H2,23,24,28)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322410
PNG
((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(Cl)=O)C3)c12
Show InChI InChI=1S/C13H17ClN6O/c1-8-4-16-10-9(8)11(19-7-18-10)20-3-2-13(15,6-20)5-17-12(14)21/h4,7H,2-3,5-6,15H2,1H3,(H,17,21)(H,16,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322411
PNG
(CHEMBL1171485 | N-((3-amino-1-(5-methyl-7H-pyrrolo...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)C(F)(F)F)C3)c12
Show InChI InChI=1S/C14H17F3N6O/c1-8-4-19-10-9(8)11(22-7-21-10)23-3-2-13(18,6-23)5-20-12(24)14(15,16)17/h4,7H,2-3,5-6,18H2,1H3,(H,20,24)(H,19,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322407
PNG
(CHEMBL1171842 | N-((3-amino-1-(5-methyl-7H-pyrrolo...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccccc4)C3)c12
Show InChI InChI=1S/C19H22N6O/c1-13-9-21-16-15(13)17(24-12-23-16)25-8-7-19(20,11-25)10-22-18(26)14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11,20H2,1H3,(H,22,26)(H,21,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322391
PNG
((R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)py...)
Show SMILES N[C@@H]1CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C10H12ClN5/c11-7-3-13-9-8(7)10(15-5-14-9)16-2-1-6(12)4-16/h3,5-6H,1-2,4,12H2,(H,13,14,15)/t6-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385644
PNG
(CHEMBL2043438)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccc(c1)C#N |r|
Show InChI InChI=1S/C21H22N6O/c1-27-10-9-16(24-21(28)23-15-6-4-5-14(11-15)13-22)12-19(27)20-25-17-7-2-3-8-18(17)26-20/h2-8,11,16,19H,9-10,12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385639
PNG
(CHEMBL2043431)
Show SMILES O=C(N[C@@H]1CCC[C@@H](C1)c1nc2ccccc2[nH]1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C22H23N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-2,6-9,13-14,16H,3-5,10-12H2,(H,23,26)(H,24,25)/t14-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50385636
PNG
(CHEMBL2043429)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C20H23N5O/c1-25-12-11-15(22-20(26)21-14-7-3-2-4-8-14)13-18(25)19-23-16-9-5-6-10-17(16)24-19/h2-10,15,18H,11-13H2,1H3,(H,23,24)(H2,21,22,26)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 103n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24841
PNG
(N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-py...)
Show SMILES Cc1nnc([nH]1)-c1ccccc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H13N7/c1-9-19-15(22-21-9)10-4-2-3-5-12(10)20-14-11-6-7-16-13(11)17-8-18-14/h2-8H,1H3,(H,19,21,22)(H2,16,17,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 151n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322409
PNG
(N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC=O)C3)c12
Show InChI InChI=1S/C13H18N6O/c1-9-4-16-11-10(9)12(18-7-17-11)19-3-2-13(14,6-19)5-15-8-20/h4,7-8H,2-3,5-6,14H2,1H3,(H,15,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24842
PNG
(N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phen...)
Show SMILES Cc1nnc([nH]1)-c1cc(Cl)ccc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H12ClN7/c1-8-20-15(23-22-8)11-6-9(16)2-3-12(11)21-14-10-4-5-17-13(10)18-7-19-14/h2-7H,1H3,(H,20,22,23)(H2,17,18,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 171n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322390
PNG
((3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)p...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@@H](N)C3)c12 |r|
Show InChI InChI=1S/C11H15N5/c1-7-4-13-10-9(7)11(15-6-14-10)16-3-2-8(12)5-16/h4,6,8H,2-3,5,12H2,1H3,(H,13,14,15)/t8-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Smoothened homolog


(Mus musculus)		BDBM50385645
PNG
(CHEMBL2043439)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C19H22N6O/c1-25-10-8-13(21-19(26)22-14-5-4-9-20-12-14)11-17(25)18-23-15-6-2-3-7-16(15)24-18/h2-7,9,12-13,17H,8,10-11H2,1H3,(H,23,24)(H2,21,22,26)/t13-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 191n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...

ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50322389
PNG
(1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperi...)
Show SMILES NC1CCCN(C1)c1ncnc2[nH]cc(Cl)c12
Show InChI InChI=1S/C11H14ClN5/c12-8-4-14-10-9(8)11(16-6-15-10)17-3-1-2-7(13)5-17/h4,6-7H,1-3,5,13H2,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay

J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM24837
PNG
(N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3...)
Show SMILES N(c1ccccc1-c1nnc[nH]1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H11N7/c1-2-4-11(9(3-1)14-18-8-19-21-14)20-13-10-5-6-15-12(10)16-7-17-13/h1-8H,(H,18,19,21)(H2,15,16,17,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 210n/an/an/an/a7.522



Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...

Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>
Jump to: