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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'hatzivassiliou' 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
CREB-binding protein


(Homo sapiens (Human))		BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 0.940n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269848
PNG
(CHEMBL4069831)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3nn(C4CCOCC4)c4CCN(Cc34)C(N)=O)c2cc1C(F)F
Show InChI InChI=1S/C26H31F2N7O2/c1-32-14-17(13-30-32)19-11-16-3-2-7-34(23(16)12-20(19)24(27)28)25-21-15-33(26(29)36)8-4-22(21)35(31-25)18-5-9-37-10-6-18/h11-14,18,24H,2-10,15H2,1H3,(H2,29,36)
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n/an/a 1n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269857
PNG
(CHEMBL4088793)
Show SMILES CC(=O)N1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C29H35F2N7O2/c1-18(39)35-10-6-22(7-11-35)38-26-8-12-36(19(2)40)17-25(26)29(33-38)37-9-4-5-20-13-23(21-15-32-34(3)16-21)24(28(30)31)14-27(20)37/h13-16,22,28H,4-12,17H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged P300 measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269856
PNG
(CHEMBL4060566)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCN(CC1)S(C)(=O)=O)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H35F2N7O3S/c1-18(38)34-10-8-25-24(17-34)28(32-37(25)21-6-11-35(12-7-21)41(3,39)40)36-9-4-5-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269855
PNG
(CHEMBL4061161)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCS(=O)(=O)CC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O3S/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-39(37,38)11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged P300 measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269850
PNG
(CHEMBL4061600)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r|
Show InChI InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269914
PNG
(CHEMBL4083416)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H29F3N6O2/c1-16(36)33-8-5-23-21(14-33)25(31-35(23)19-6-9-37-15-19)34-7-3-4-17-10-20(18-12-30-32(2)13-18)22(11-24(17)34)26(27,28)29/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269907
PNG
(CHEMBL4080905)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCNCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O/c1-17(37)34-11-7-24-23(16-34)27(32-36(24)20-5-8-30-9-6-20)35-10-3-4-18-12-21(19-14-31-33(2)15-19)22(26(28)29)13-25(18)35/h12-15,20,26,30H,3-11,16H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 1.70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269906
PNG
(CHEMBL4098938)
Show SMILES CN1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C28H35F2N7O/c1-18(38)35-12-8-25-24(17-35)28(32-37(25)21-6-10-33(2)11-7-21)36-9-4-5-19-13-22(20-15-31-34(3)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM197160
PNG
(GNE-140 (6))
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Genentech



Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...

Nat Chem Biol 12: 779-86 (2016)


Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269908
PNG
(CHEMBL4091202)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCCCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H34F2N6O/c1-18(37)34-12-10-25-24(17-34)28(32-36(25)21-8-4-3-5-9-21)35-11-6-7-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)35/h13-16,21,27H,3-12,17H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484261
PNG
(CHEMBL1822246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F
Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)
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n/an/a 3.40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484223
PNG
(CHEMBL1822241)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F
Show InChI InChI=1S/C16H14BrF2N5O3S/c1-2-5-28(26,27)24-11-4-3-10(18)12(13(11)19)16(25)21-8-6-9-14(17)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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n/an/a 4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269909
PNG
(CHEMBL4099857)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(Cl)cc12 |r|
Show InChI InChI=1S/C25H29ClN6O2/c1-16(33)30-8-5-23-21(14-30)25(28-32(23)19-6-9-34-15-19)31-7-3-4-17-10-20(22(26)11-24(17)31)18-12-27-29(2)13-18/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269852
PNG
(CHEMBL4062259)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(C)cc12 |r|
Show InChI InChI=1S/C26H32N6O2/c1-17-11-25-19(12-22(17)20-13-27-29(3)14-20)5-4-8-31(25)26-23-15-30(18(2)33)9-6-24(23)32(28-26)21-7-10-34-16-21/h11-14,21H,4-10,15-16H2,1-3H3/t21-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269851
PNG
(CHEMBL4072979)
Show SMILES COc1cc2N(CCCc2cc1-c1cnn(C)c1)c1nn([C@H]2CCOC2)c2CCN(Cc12)C(C)=O |r|
Show InChI InChI=1S/C26H32N6O3/c1-17(33)30-9-6-23-22(15-30)26(28-32(23)20-7-10-35-16-20)31-8-4-5-18-11-21(19-13-27-29(2)14-19)25(34-3)12-24(18)31/h11-14,20H,4-10,15-16H2,1-3H3/t20-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))		BDBM197160
PNG
(GNE-140 (6))
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Genentech



Assay Description
LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...

Nat Chem Biol 12: 779-86 (2016)


Article DOI: 10.1038/nchembio.2143
BindingDB Entry DOI: 10.7270/Q2W95800
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484698
PNG
(CHEMBL1945165)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15ClFN5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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n/an/a 6.30n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484703
PNG
(CHEMBL1945164)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F
Show InChI InChI=1S/C18H20F2N6O3S/c1-4-7-30(28,29)25-13-6-5-12(19)14(15(13)20)18(27)22-10-8-11-16(21-9-10)23-24-17(11)26(2)3/h5-6,8-9,25H,4,7H2,1-3H3,(H,22,27)(H,21,23,24)
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n/an/a 8.20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484246
PNG
(CHEMBL1822243)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)24-13-5-4-12(18)14(15(13)19)17(25)21-10-7-11-9(2)22-23-16(11)20-8-10/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 12n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269853
PNG
(CHEMBL4077449)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(ccc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-17(32)29-10-7-24-22(15-29)25(27-31(24)21-8-11-33-16-21)30-9-3-4-19-12-18(5-6-23(19)30)20-13-26-28(2)14-20/h5-6,12-14,21H,3-4,7-11,15-16H2,1-2H3/t21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484247
PNG
(CHEMBL1822110)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
Show InChI InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-12-4-3-11(17)13(14(12)18)16(24)21-10-6-9-7-20-22-15(9)19-8-10/h3-4,6-8,23H,2,5H2,1H3,(H,21,24)(H,19,20,22)
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n/an/a 17n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 17n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of CBP in human PBMC derived naive CD4-positive T cells assessed as decrease in FOXP3 mRNA level in Treg cells measured after 4 days by qu...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50200445
PNG
(CHEMBL3897393 | US9763922, Example 300)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 20n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50386475
PNG
(CHEMBL2047879)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F
Show InChI InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22)
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n/an/a 22n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type B-raf in presence of 1 mM ATP

J Med Chem 55: 2869-81 (2012)


Article DOI: 10.1021/jm300016v
BindingDB Entry DOI: 10.7270/Q2XP7601
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269848
PNG
(CHEMBL4069831)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3nn(C4CCOCC4)c4CCN(Cc34)C(N)=O)c2cc1C(F)F
Show InChI InChI=1S/C26H31F2N7O2/c1-32-14-17(13-30-32)19-11-16-3-2-7-34(23(16)12-20(19)24(27)28)25-21-15-33(26(29)36)8-4-22(21)35(31-25)18-5-9-37-10-6-18/h11-14,18,24H,2-10,15H2,1H3,(H2,29,36)
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n/an/a 28n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))		BDBM50321325
PNG
(CHEMBL4173485)
Show SMILES Nc1oncc1-c1ccsc1
Show InChI InChI=1S/C7H6N2OS/c8-7-6(3-9-10-7)5-1-2-11-4-5/h1-4H,8H2
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n/an/a 28n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2...

ACS Med Chem Lett 9: 417-421 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00427
BindingDB Entry DOI: 10.7270/Q2M0481G
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))		BDBM50321332
PNG
(CHEMBL4165554)
Show SMILES Nc1oncc1-c1cccs1
Show InChI InChI=1S/C7H6N2OS/c8-7-5(4-9-10-7)6-2-1-3-11-6/h1-4H,8H2
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n/an/a 29n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2...

ACS Med Chem Lett 9: 417-421 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00427
BindingDB Entry DOI: 10.7270/Q2M0481G
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269846
PNG
(CHEMBL4080528)
Show SMILES CCNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H35F2N7O2/c1-3-31-28(38)35-10-6-24-23(17-35)27(33-37(24)20-7-11-39-12-8-20)36-9-4-5-18-13-21(19-15-32-34(2)16-19)22(26(29)30)14-25(18)36/h13-16,20,26H,3-12,17H2,1-2H3,(H,31,38)
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n/an/a 31n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269911
PNG
(CHEMBL4095660)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCc2cc(ccc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H28N6O2/c1-16(31)28-8-6-23-21(14-28)24(26-30(23)20-7-10-32-15-20)29-9-5-18-11-17(3-4-22(18)29)19-12-25-27(2)13-19/h3-4,11-13,20H,5-10,14-15H2,1-2H3/t20-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 31n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM50269850
PNG
(CHEMBL4061600)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r|
Show InChI InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484239
PNG
(CHEMBL1822078)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
Show InChI InChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24)
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n/an/a 38n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484261
PNG
(CHEMBL1822246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F
Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)
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n/an/a 39n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269914
PNG
(CHEMBL4083416)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H29F3N6O2/c1-16(36)33-8-5-23-21(14-33)25(31-35(23)19-6-9-37-15-19)34-7-3-4-17-10-20(18-12-30-32(2)13-18)22(11-24(17)34)26(27,28)29/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484703
PNG
(CHEMBL1945164)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F
Show InChI InChI=1S/C18H20F2N6O3S/c1-4-7-30(28,29)25-13-6-5-12(19)14(15(13)20)18(27)22-10-8-11-16(21-9-10)23-24-17(11)26(2)3/h5-6,8-9,25H,4,7H2,1-3H3,(H,22,27)(H,21,23,24)
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n/an/a 40n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269855
PNG
(CHEMBL4061161)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCS(=O)(=O)CC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O3S/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-39(37,38)11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50484223
PNG
(CHEMBL1822241)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F
Show InChI InChI=1S/C16H14BrF2N5O3S/c1-2-5-28(26,27)24-11-4-3-10(18)12(13(11)19)16(25)21-8-6-9-14(17)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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n/an/a 44n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis

ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269908
PNG
(CHEMBL4091202)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCCCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H34F2N6O/c1-18(37)34-12-10-25-24(17-34)28(32-36(25)21-8-4-3-5-9-21)35-11-6-7-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)35/h13-16,21,27H,3-12,17H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269856
PNG
(CHEMBL4060566)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCN(CC1)S(C)(=O)=O)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H35F2N7O3S/c1-18(38)34-10-8-25-24(17-34)28(32-37(25)21-6-11-35(12-7-21)41(3,39)40)36-9-4-5-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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n/an/a 46n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50269857
PNG
(CHEMBL4088793)
Show SMILES CC(=O)N1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C29H35F2N7O2/c1-18(39)35-10-6-22(7-11-35)38-26-8-12-36(19(2)40)17-25(26)29(33-38)37-9-4-5-20-13-23(21-15-32-34(3)16-21)24(28(30)31)14-27(20)37/h13-16,22,28H,4-12,17H2,1-3H3
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n/an/a 53n/an/an/an/an/an/a



Genentech, Inc. , 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...

J Med Chem 60: 9162-9183 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00796
BindingDB Entry DOI: 10.7270/Q23F4S4V
More data for this
Ligand-Target Pair
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