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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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398n/an/an/an/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by BROMOscan panel based assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148549
PNG
(CHEMBL3770173)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148468
PNG
(CHEMBL3769887)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148470
PNG
(CHEMBL3771002)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148463
PNG
(CHEMBL3770971)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OCCCc4c3)cc2n(C)c1=O
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148475
PNG
(CHEMBL3770465)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148465
PNG
(CHEMBL3771151)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4CCCc4c3)cc2n(C)c1=O
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n/an/a 1.71E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148478
PNG
(CHEMBL3769965)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148476
PNG
(CHEMBL3770391)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 1.99E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148460
PNG
(CHEMBL1346130)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4CCCCc4c3)cc2n(C)c1=O
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n/an/a 2.05E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148481
PNG
(CHEMBL3771005)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1
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n/an/a 2.38E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148471
PNG
(CHEMBL3771154)
Show SMILES Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 2.39E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148473
PNG
(CHEMBL3770048)
Show SMILES Cc1ccc(F)cc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 2.42E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148464
PNG
(CHEMBL3771106)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148477
PNG
(CHEMBL3771230)
Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc4CCCCc4c3)c(Oc3ccccc3)cc2n(C)c1=O
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n/an/a 2.67E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148479
PNG
(CHEMBL3770259)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2)cc1
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n/an/a 2.77E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148474
PNG
(CHEMBL3771226)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 2.92E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148467
PNG
(CHEMBL3770004)
Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c1=O
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n/an/a 3.47E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148480
PNG
(CHEMBL3770456)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)cc2)cc1
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n/an/a 3.58E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148472
PNG
(CHEMBL3770861)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 3.69E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148462
PNG
(CHEMBL3770886)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148469
PNG
(CHEMBL3770810)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
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n/an/a 5.16E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148461
PNG
(CHEMBL3770652)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
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n/an/a 6.14E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50032912
PNG
(CHEMBL1522313)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to 6H-Flag-tagged Tev-BRPF2 (551-673 aa) (unknown origin) by TR-FRET competitive assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148466
PNG
(CHEMBL3771239)
Show SMILES CO[C@@]1(C)Oc2ccc(cc2OC1(C)OC)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148482
PNG
(CHEMBL3769732)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccc(OC)cc1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148548
PNG
(CHEMBL3770384)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(C)cc2)cc1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/s2
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n/an/a<2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD1 by BROMOscan assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50157570
PNG
(CHEMBL3752151)
Show SMILES COc1cc(ccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1)C#N
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n/an/an/a 110n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148478
PNG
(CHEMBL3769965)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1
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n/an/an/a 1.13E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 BRD1 (unknown origin) by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50148549
PNG
(CHEMBL3770173)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C
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n/an/an/a 500n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 1


(Homo sapiens)
BDBM50150818
PNG
(CHEMBL3774575)
Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
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n/an/an/a 12n/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human BRPF2 expressed in bacterial system by bromoscan assay


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Ligand-Target Pair