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Compile Data Set for Download or QSAR

Found 37 hits of ic50 data for polymerid = 50006449,50006751   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469324
PNG
(CHEMBL4286345)
Show SMILES Nc1cnc(Cl)cc1NC(=O)Nc1cc(ns1)C(F)F
Show InChI InChI=1S/C10H8ClF2N5OS/c11-7-1-5(4(14)3-15-7)16-10(19)17-8-2-6(9(12)13)18-20-8/h1-3,9H,14H2,(H2,15,16,17,19)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469331
PNG
(CHEMBL4282980)
Show SMILES Nc1cnc(F)cc1NC(=O)Nc1cc(ns1)C(F)F
Show InChI InChI=1S/C10H8F3N5OS/c11-7-1-5(4(14)3-15-7)16-10(19)17-8-2-6(9(12)13)18-20-8/h1-3,9H,14H2,(H2,15,16,17,19)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469320
PNG
(CHEMBL4293567)
Show SMILES OCc1cnc(Cl)cc1NC(=O)Nc1cc(ns1)C(F)F
Show InChI InChI=1S/C11H9ClF2N4O2S/c12-8-1-6(5(4-19)3-15-8)16-11(20)17-9-2-7(10(13)14)18-21-9/h1-3,10,19H,4H2,(H2,15,16,17,20)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469330
PNG
(CHEMBL4295096)
Show SMILES OCc1cnc(F)cc1NC(=O)Nc1cc(ns1)C(F)F
Show InChI InChI=1S/C11H9F3N4O2S/c12-8-1-6(5(4-19)3-15-8)16-11(20)17-9-2-7(10(13)14)18-21-9/h1-3,10,19H,4H2,(H2,15,16,17,20)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469329
PNG
(CHEMBL4278436)
Show SMILES FC(F)c1cc(NC(=O)Nc2ccnc(Cl)c2)sn1
Show InChI InChI=1S/C10H7ClF2N4OS/c11-7-3-5(1-2-14-7)15-10(18)16-8-4-6(9(12)13)17-19-8/h1-4,9H,(H2,14,15,16,18)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469325
PNG
(CHEMBL4294655)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccnc(Cl)c2)sn1
Show InChI InChI=1S/C10H6ClF3N4OS/c11-7-3-5(1-2-15-7)16-9(19)17-8-4-6(18-20-8)10(12,13)14/h1-4H,(H2,15,16,17,19)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469333
PNG
(CHEMBL4290175)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccnc(Cl)c2)ccn1
Show InChI InChI=1S/C12H8ClF3N4O/c13-10-6-8(2-4-18-10)20-11(21)19-7-1-3-17-9(5-7)12(14,15)16/h1-6H,(H2,17,18,19,20,21)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM394583
PNG
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)
Show SMILES Nc1nnc(cc1-c1ccccc1)-c1ccccc1O
Show InChI InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469321
PNG
(CHEMBL4286757)
Show SMILES Cc1cc(NC(=O)Nc2ccnc(Cl)c2)sn1
Show InChI InChI=1S/C10H9ClN4OS/c1-6-4-9(17-15-6)14-10(16)13-7-2-3-12-8(11)5-7/h2-5H,1H3,(H2,12,13,14,16)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM394530
PNG
((R)-1-(4-(3-amino-6-(2- | US10308614, Example 131)
Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|
Show InChI InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM646010
PNG
((2S,4R)-4-hydroxy-1-((2S)-2-(2-(2-(2- hydroxypheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CN1CCN2C(CNc3nnc(cc23)-c2ccccc2O)C1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM646012
PNG
((2S,4R)-4-hydroxy-N-[[4-(5-methyl-1,3- thiazol-4-y...)
Show SMILES Cc1scnc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CN2CCN3C(CNc4nnc(cc34)-c3ccccc3O)C2)C(C)(C)C)cc1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469322
PNG
(CHEMBL4281368)
Show SMILES Cc1cc(NC(=O)Nc2ccnc(Cl)c2)ccn1
Show InChI InChI=1S/C12H11ClN4O/c1-8-6-9(2-4-14-8)16-12(18)17-10-3-5-15-11(13)7-10/h2-7H,1H3,(H2,14,15,16,17,18)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
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n/an/a 263n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM394406
PNG
(2-(6-amino-5-(piperazin- | US10308614, Example 7)
Show SMILES Nc1nnc(cc1N1CCNCC1)-c1ccccc1O
Show InChI InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM646012
PNG
((2S,4R)-4-hydroxy-N-[[4-(5-methyl-1,3- thiazol-4-y...)
Show SMILES Cc1scnc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CN2CCN3C(CNc4nnc(cc34)-c3ccccc3O)C2)C(C)(C)C)cc1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
CHEMBL5278697
PNG
Show SMILES CC1CCN(CCCC(=O)NC2C=CC(C=C2)S(N)(=O)=O)CC1 |c:12,15,(26.65,-10.36,;27.42,-11.7,;28.96,-11.7,;29.72,-13.03,;28.95,-14.36,;29.72,-15.69,;31.26,-15.69,;32.03,-17.02,;33.57,-17.02,;34.34,-15.69,;34.34,-18.35,;35.88,-18.35,;36.66,-19.68,;38.2,-19.68,;38.96,-18.35,;38.2,-17.02,;36.66,-17.02,;40.5,-18.35,;41.27,-19.69,;40.09,-16.85,;41.98,-17.94,;27.41,-14.37,;26.65,-13.03,)|
Show InChI InChI=1S/C16H27N3O3S/c1-13-8-11-19(12-9-13)10-2-3-16(20)18-14-4-6-15(7-5-14)23(17,21)22/h4-7,13-15H,2-3,8-12H2,1H3,(H,18,20)(H2,17,21,22)
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Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469327
PNG
(CHEMBL4282784)
Show SMILES Cc1csc(NC(=O)Nc2ccnc(Cl)c2)n1
Show InChI InChI=1S/C10H9ClN4OS/c1-6-5-17-10(13-6)15-9(16)14-7-2-3-12-8(11)4-7/h2-5H,1H3,(H2,12,13,14,15,16)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50256397
PNG
(CHEMBL4088466)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H16F2N2O4S/c1-25-11-16(14-7-8-24-21(26)20(14)25)15-10-13(30(2,27)28)4-6-18(15)29-19-5-3-12(22)9-17(19)23/h3-11H,1-2H3,(H,24,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469328
PNG
(CHEMBL4292870)
Show SMILES Clc1cc(NC(=O)Nc2ccccn2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-9-7-8(4-6-13-9)15-11(17)16-10-3-1-2-5-14-10/h1-7H,(H2,13,14,15,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50598934
PNG
(CHEMBL5183240)
Show SMILES Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184973
PNG
(CHEMBL3822828)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2/b13-12+
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184975
PNG
(CHEMBL3823214)
Show SMILES CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C18H22N4O/c1-2-20-9-11-21(12-10-20)13-14-7-8-22-16-6-4-3-5-15(16)18(23)19-17(14)22/h3-6,13H,2,7-12H2,1H3/b14-13+
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184974
PNG
(CHEMBL3823057)
Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)12-13-6-7-21-15-5-3-2-4-14(15)17(22)18-16(13)21/h2-5,12H,6-11H2,1H3/b13-12+
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length SMARCA4 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length SMARCA4 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184972
PNG
(CHEMBL3823525)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1
Show InChI InChI=1S/C16H17N3O/c20-16-13-5-1-2-6-14(13)19-10-7-12(15(19)17-16)11-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2/b12-11+
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184971
PNG
(CHEMBL3823210)
Show SMILES CN(C)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C14H15N3O/c1-16(2)9-10-7-8-17-12-6-4-3-5-11(12)14(18)15-13(10)17/h3-6,9H,7-8H2,1-2H3/b10-9+
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRG1 (unknown origin) using biotinylated acetylated peptide as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50510872
PNG
(CHEMBL4303404)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|
Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50510872
PNG
(CHEMBL4303404)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|
Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50184976
PNG
(CHEMBL3823365)
Show SMILES CN1CCCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C18H22N4O/c1-20-8-4-9-21(12-11-20)13-14-7-10-22-16-6-3-2-5-15(16)18(23)19-17(14)22/h2-3,5-6,13H,4,7-12H2,1H3/b14-13+
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01997
BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50598935
PNG
(CHEMBL5194650)
Show SMILES Nc1nnc(cc1-c1ccccc1)-c1ccccc1
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n/an/a 5.71E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair