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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'ordonez-rubiano' and Initial = 'sc'   
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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591380
PNG
(CHEMBL5180611)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1
PDB

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n/an/a 160n/an/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
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+
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591362
PNG
(CHEMBL5195502)
Show SMILES Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591371
PNG
(CHEMBL5187356)
Show SMILES Cc1cccc(C2NC(=O)c3c(Cl)cccc3N2)c1C
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591363
PNG
(CHEMBL5170275)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591372
PNG
(CHEMBL5207236)
Show SMILES Cc1cccc(C)c1C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591381
PNG
(CHEMBL5184118)
Show SMILES Cc1ccccc1C1NC(=O)c2c(Br)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591370
PNG
(CHEMBL5185774)
Show SMILES Cc1ccc(C)c(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591367
PNG
(CHEMBL5195542)
Show SMILES Cc1ccc(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1
PDB

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n/an/a 860n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591364
PNG
(CHEMBL5194300)
Show SMILES Cc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591358
PNG
(CHEMBL5204703)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591359
PNG
(CHEMBL5170175)
Show SMILES Clc1cccc2NC(NC(=O)c12)c1ccccc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591379
PNG
(CHEMBL5176658)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(C)cccc2N1
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591368
PNG
(CHEMBL5181215)
Show SMILES Cc1cc(C)c(C2NC(=O)c3c(Cl)cccc3N2)c(C)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591360
PNG
(CHEMBL5205087)
Show SMILES Fc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591361
PNG
(CHEMBL5197320)
Show SMILES Clc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591365
PNG
(CHEMBL5171156)
Show SMILES COc1ccc(cc1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591378
PNG
(CHEMBL5178860)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(F)cccc2N1
PDB

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n/an/a 5.60E+3n/an/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591366
PNG
(CHEMBL5203878)
Show SMILES FC(F)(F)c1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591357
PNG
(CHEMBL5205514)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21
PDB

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n/an/a 6.30E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591383
PNG
(CHEMBL5184333)
Show SMILES OC(=O)c1cccc2c1[nH]c1cccc(Cl)c1c2=O
PDB

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n/an/a 7.00E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591374
PNG
(CHEMBL5172472)
Show SMILES NC(=O)c1c(Cl)cccc1\N=C\c1c(F)cccc1Cl
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591382
PNG
(CHEMBL5171944)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1C(O)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50104297
PNG
(CHEMBL3594130)
Show SMILES Cc1ccccc1C1NC(=O)c2ccccc2N1
Show InChI InChI=1S/C15H14N2O/c1-10-6-2-3-7-11(10)14-16-13-9-5-4-8-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591369
PNG
(CHEMBL5186537)
Show SMILES Cc1cc(C)cc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591377
PNG
(CHEMBL5200761)
Show SMILES COc1cccc2NC(NC(=O)c12)c1ccccc1C
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591376
PNG
(CHEMBL5196748)
Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)[nH]1
PDB

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n/an/a 8.99E+4n/an/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591373
PNG
(CHEMBL5171878)
Show SMILES NC(=O)c1ccccc1\N=C\c1c(F)cccc1Cl
PDB

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n/an/a 1.19E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591347
PNG
(CHEMBL541514)
Show SMILES OC(=O)c1cccc2c1[nH]c1ccccc1c2=O
PDB

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n/an/a 1.27E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591375
PNG
(CHEMBL5202589)
Show SMILES Cc1cccc(c1)-c1nc2cccc(Cl)c2c(=O)o1
PDB

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n/an/a 2.36E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591384
PNG
(LOBENZARIT | Lobenzarit)
Show SMILES OC(=O)c1ccccc1Nc1cc(Cl)ccc1C(O)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591385
PNG
(CHEMBL5169618)
Show SMILES OC(=O)c1ccc(Cl)c2c1[nH]c1ccccc1c2=O
PDB

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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))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
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
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n/an/an/a 5.00E+3n/an/an/an/an/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
PNG
(CHEMBL5188924)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2ccccc2N1
PDB
MMDB

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n/an/an/a 1.42E+5n/an/an/an/an/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
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50591358
PNG
(CHEMBL5204703)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/an/a 1.84E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
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

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n/an/an/a 8.10E+3n/an/an/an/an/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
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50591346
PNG
(CHEMBL5188924)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2ccccc2N1
PDB

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n/an/an/a 1.59E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591380
PNG
(CHEMBL5180611)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1
PDB

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n/an/an/a 2.50E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591363
PNG
(CHEMBL5170275)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/an/a 3.90E+3n/an/an/an/an/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
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591362
PNG
(CHEMBL5195502)
Show SMILES Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/an/a 1.11E+4n/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591358
PNG
(CHEMBL5204703)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/an/a 1.01E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591357
PNG
(CHEMBL5205514)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21
PDB

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n/an/an/a 3.30E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
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+
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n/an/an/a 350n/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591346
PNG
(CHEMBL5188924)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2ccccc2N1
PDB

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n/an/an/a 1.79E+5n/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591380
PNG
(CHEMBL5180611)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Br)cccc2N1
PDB

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n/an/an/a 4.40E+3n/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591363
PNG
(CHEMBL5170275)
Show SMILES Cc1cccc(c1)C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/an/a 1.50E+3n/an/an/an/an/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
3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591362
PNG
(CHEMBL5195502)
Show SMILES Cc1ccccc1C1NC(=O)c2c(Cl)cccc2N1
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n/an/an/a 5.50E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00864
BindingDB Entry DOI: 10.7270/Q2X06C18
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591358
PNG
(CHEMBL5204703)
Show SMILES Fc1cccc(Cl)c1C1NC(=O)c2c(Cl)cccc2N1
PDB

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n/an/an/a 9.30E+3n/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50591357
PNG
(CHEMBL5205514)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1ccccc21
PDB

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n/an/an/a 6.90E+3n/an/an/an/an/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
Protein polybromo-1


(Homo sapiens (Human))
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
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+
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PubMed
n/an/an/a 700n/an/an/an/an/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
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