Found 11 hits of ec50 data for polymerid = 50006700,50007129 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 |
|---|
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321411
(6-[(E)-but-2-enyl]-4-[3-methoxy-4-(morpholine-4-ca...)Show SMILES COc1cc(ccc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C24H27N3O4/c1-4-5-8-27-15-20(19-13-16(2)25-22(19)24(27)29)17-6-7-18(21(14-17)30-3)23(28)26-9-11-31-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+ | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321424
(6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...)Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+ | PDB
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MCE
PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321422
(5-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(c2)C#N)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C24H24N4O3/c1-3-4-7-28-15-21(20-12-16(2)26-22(20)24(28)30)17-5-6-19(18(13-17)14-25)23(29)27-8-10-31-11-9-27/h3-6,12-13,15,26H,7-11H2,1-2H3/b4-3+ | PDB
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| PC cid
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| | n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321437
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+ | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321415
(6-[(E)-but-2-enyl]-2-methyl-4-[3-methyl-4-(morphol...)Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(C)c2)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C24H27N3O3/c1-4-5-8-27-15-21(20-14-17(3)25-22(20)24(27)29)18-6-7-19(16(2)13-18)23(28)26-9-11-30-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+ | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321407
(6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-car...)Show SMILES C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C23H25N3O3/c1-3-4-9-26-15-20(19-14-16(2)24-21(19)23(26)28)17-5-7-18(8-6-17)22(27)25-10-12-29-13-11-25/h3-8,14-15,24H,9-13H2,1-2H3/b4-3+ | PDB
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| PC cid
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| | n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321412
(6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car...)Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(18-12-15(2)25-21(18)23(27)29)16-5-6-17(20(24)13-16)22(28)26-8-10-30-11-9-26/h3-6,12-14,25H,7-11H2,1-2H3/b4-3+ | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | CHEMBL5282240
| PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM321402
(6-[(E)-but-2-enyl]-4-[4-(1-hydroxy-1-methyl-ethyl)...)Show SMILES C\C=C\Cn1cc(-c2ccc(cc2)C(C)(C)O)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H22N2O2/c1-4-5-12-22-13-17(16-10-11-21-18(16)19(22)23)14-6-8-15(9-7-14)20(2,3)24/h4-11,13,21,24H,12H2,1-3H3/b5-4+ | PDB
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| PC cid
PC sid
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| | n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Bromodomain-containing protein 9
(Mus musculus) | BDBM50183448
(CHEMBL3823478 | US11773085, Compound B2)Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3 | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 275 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of BRD9 in mouse RN2 cells assessed as decrease in cell proliferation by cell titer glow assay |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ |
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Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | CHEMBL5270178
| PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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UniChem
| | n/a | n/a | n/a | n/a | 380 | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
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