Found 34 hits of kd data for polymerid = 50006449 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM394530
((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/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)) | BDBM50158688
(CHEMBL3752911)Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM394399
(US10308614, Example 1 | tert-butyl 4-(3-amino-6-(2...)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc(nnc1N)-c1ccccc1O Show InChI InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SMARCA4 (unknown origin) by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM394530
((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/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)) | BDBM50182280
(CHEMBL3819245)Show InChI InChI=1S/C19H20N4O2/c24-17-4-2-1-3-15(17)18(25)8-10-23-9-7-14-16(11-23)20-12-21-19(14)22-13-5-6-13/h1-4,8,10,12-13,24H,5-7,9,11H2,(H,20,21,22)/b10-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry |
J Med Chem 59: 4800-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00012 BindingDB Entry DOI: 10.7270/Q2G44S62 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50549126
(CHEMBL4793170) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SMARCA4 (unknown origin) by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM394583
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM394406
(2-(6-amino-5-(piperazin- | US10308614, Example 7)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SMARCA4 (unknown origin) by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM394583
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50158688
(CHEMBL3752911)Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime... |
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 | 3D Structure (crystal) |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50266286
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Reverse ITC (compound as receptor). Domain start/stop: L1451-E1580 |
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)) | BDBM50158688
(CHEMBL3752911)Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to SMARCA4 (unknown origin) by isothermal titration calorimetric analysis |
J Med Chem 59: 1271-98 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50158688
(CHEMBL3752911)Show SMILES [H][C@@]12CN(c3ccccn3)[C@@]([H])(CN1\C=C\C(=O)c1ccccc1O)C2 |r| Show InChI InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry |
J Med Chem 59: 4800-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00012 BindingDB Entry DOI: 10.7270/Q2G44S62 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50549127
(CHEMBL4790365) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to SMARCA4 (unknown origin) by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50469323
(CHEMBL4290675)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells by ITC method |
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)) | BDBM50184979
(CHEMBL3822689)Show InChI InChI=1S/C17H19ClN4O/c1-20-7-9-21(10-8-20)11-12-5-6-22-14-4-2-3-13(18)15(14)17(23)19-16(12)22/h2-4,11H,5-10H2,1H3/b12-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime... |
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)) | BDBM50598934
(CHEMBL5183240) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/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)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50184981
(CHEMBL3823055)Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime... |
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)) | BDBM50598934
(CHEMBL5183240) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/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)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 3887-3901 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00193 BindingDB Entry DOI: 10.7270/Q28W3GWN |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50366670
(CHEMBL4173488)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)| Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOScan assay |
J Med Chem 61: 6110-6120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00483 BindingDB Entry DOI: 10.7270/Q26M39B1 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50184981
(CHEMBL3823055)Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system after 1 hr by bromoscan assay |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50453949
(CHEMBL4208820 | US11247989, Example 87)Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1 Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025 BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50092310
(CHEMBL3581661 | US9675697, Cpd. No. 23)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to biotinylated BRG1 (59 to 180 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry method |
J Med Chem 58: 4927-39 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00613 BindingDB Entry DOI: 10.7270/Q2XD13FK |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50598935
(CHEMBL5194650) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/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)) | BDBM50148271
(CHEMBL3769590)Show InChI InChI=1S/C20H21NO3/c1-4-10-24-17-8-9-21-19(14(2)22)13-18(20(21)12-17)15-6-5-7-16(11-15)23-3/h5-9,11-13H,4,10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to SMARCA4 in human HUT78 cell extract by chemoproteomic competition binding assay |
J Med Chem 59: 1410-24 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00209 BindingDB Entry DOI: 10.7270/Q2PK0J09 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50504160
(CHEMBL3133807 | US11773085, Compound B25)Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| PubMed
| n/a | n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Reverse ITC (compound as receptor). Domain start/stop: L1451-E1580 |
Sci Adv 2: (2016)
BindingDB Entry DOI: 10.7270/Q24J0JPZ |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50098311
(CHEMBL3590408)Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to SMARCA4 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay |
J Med Chem 58: 6151-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50455480
(CHEMBL4218735)Show SMILES CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25| Show InChI InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <3.02E+4 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length DNA-tagged SMARCA4 expressed in bacteria by BROMOscan method |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666 BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50591358
(CHEMBL5204703) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18 |
More data for this Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM50591346
(CHEMBL5188924) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.42E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00864 BindingDB Entry DOI: 10.7270/Q2X06C18 |
More data for this Ligand-Target Pair | |