Found 403 hits with Last Name = 'patten' and Initial = 'c' 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 |
|---|
Cytochrome P450 4F2
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | UniProtKB/SwissProt
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| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP4F2 in human liver microsomes assessed as fingolimod metabolism |
Drug Metab Dispos 39: 191-8 (2011)
Article DOI: 10.1124/dmd.110.035378
BindingDB Entry DOI: 10.7270/Q28917MJ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607759
(CHEMBL5218813)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13| | PDB
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| PC cid
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607759
(CHEMBL5218813)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13| | PDB
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| PC cid
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| Article
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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| DrugBank
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Article
PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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Article
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| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition of dexamethasone-induce... |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607758
(CHEMBL5219991)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13| | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to PR |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416100
(CHEMBL1086484)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F Show InChI InChI=1S/C27H19F4N3O2S/c28-21-7-10-23(11-8-21)34-26-13-6-19(14-20(26)16-32-34)24-12-9-22(15-25(24)27(29,30)31)33-37(35,36)17-18-4-2-1-3-5-18/h1-16,33H,17H2 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at GR in human A549 cells by NF-kappaB transrepression assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416082
(CHEMBL1085625)Show SMILES CCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H17F4N3O2S/c1-2-32(30,31)28-17-6-9-19(20(12-17)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)18-7-4-16(23)5-8-18/h3-13,28H,2H2,1H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526962
(CHEMBL4448056)Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(ccc2n1CC1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O3/c1-17-13-19(16-26(2)24(17)29)23-25-21-14-20(27-7-11-31-12-8-27)3-4-22(21)28(23)15-18-5-9-30-10-6-18/h3-4,13-14,16,18H,5-12,15H2,1-2H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416081
(CHEMBL1084360)Show SMILES CS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F4N3O2S/c1-31(29,30)27-16-5-8-18(19(11-16)21(23,24)25)13-2-9-20-14(10-13)12-26-28(20)17-6-3-15(22)4-7-17/h2-12,27H,1H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607761
(CHEMBL5221069)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 |r,t:13| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607761
(CHEMBL5221069)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 |r,t:13| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416100
(CHEMBL1086484)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F Show InChI InChI=1S/C27H19F4N3O2S/c28-21-7-10-23(11-8-21)34-26-13-6-19(14-20(26)16-32-34)24-12-9-22(15-25(24)27(29,30)31)33-37(35,36)17-18-4-2-1-3-5-18/h1-16,33H,17H2 | PDB
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607758
(CHEMBL5219991)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416078
(CHEMBL1083487)Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H19F4N3O2S/c1-33(21-5-3-2-4-6-21)37(35,36)23-12-13-24(25(16-23)27(29,30)31)18-7-14-26-19(15-18)17-32-34(26)22-10-8-20(28)9-11-22/h2-17H,1H3 | PDB
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| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416085
(CHEMBL1082837)Show SMILES CC(C)NS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F4N3O2S/c1-14(2)29-33(31,32)19-8-9-20(21(12-19)23(25,26)27)15-3-10-22-16(11-15)13-28-30(22)18-6-4-17(24)5-7-18/h3-14,29H,1-2H3 | PDB
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| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416102
(CHEMBL1083709)Show SMILES CC(C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F4N3O2S/c1-14(2)33(31,32)29-18-6-9-20(21(12-18)23(25,26)27)15-3-10-22-16(11-15)13-28-30(22)19-7-4-17(24)5-8-19/h3-14,29H,1-2H3 | PDB
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| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416101
(CHEMBL1082780)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccsc2)cc1C(F)(F)F Show InChI InChI=1S/C24H15F4N3O2S2/c25-17-2-5-19(6-3-17)31-23-8-1-15(11-16(23)13-29-31)21-7-4-18(12-22(21)24(26,27)28)30-35(32,33)20-9-10-34-14-20/h1-14,30H | PDB
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| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526964
(CHEMBL4438171)Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | PDB
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GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526964
(CHEMBL4438171)Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | PDB
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607762
(CHEMBL5220494)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416075
(CHEMBL1086260)Show SMILES CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H23F4N3O2S/c1-19(2)36(24-6-4-3-5-7-24)39(37,38)25-13-14-26(27(17-25)29(31,32)33)20-8-15-28-21(16-20)18-34-35(28)23-11-9-22(30)10-12-23/h3-19H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416077
(CHEMBL1086115)Show SMILES CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H21F4N3O2S/c1-2-34(22-6-4-3-5-7-22)38(36,37)24-13-14-25(26(17-24)28(30,31)32)19-8-15-27-20(16-19)18-33-35(27)23-11-9-21(29)10-12-23/h3-18H,2H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416071
(CHEMBL1083783)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416076
(CHEMBL1086116)Show SMILES CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H23F4N3O2S/c1-2-16-35(23-6-4-3-5-7-23)39(37,38)25-13-14-26(27(18-25)29(31,32)33)20-8-15-28-21(17-20)19-34-36(28)24-11-9-22(30)10-12-24/h3-15,17-19H,2,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416073
(CHEMBL1086086)Show SMILES OCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H17F4N3O3S/c23-16-2-4-17(5-3-16)29-21-8-1-14(11-15(21)13-27-29)19-7-6-18(12-20(19)22(24,25)26)33(31,32)28-9-10-30/h1-8,11-13,28,30H,9-10H2 | PDB
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416103
(CHEMBL1084013)Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H19F4N3O3S/c1-37-22-3-2-4-23(15-22)38(35,36)33-20-8-11-24(25(14-20)27(29,30)31)17-5-12-26-18(13-17)16-32-34(26)21-9-6-19(28)7-10-21/h2-16,33H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416072
(CHEMBL1084632)Show SMILES CCCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F4N3O2S/c1-2-11-33(31,32)29-18-6-9-20(21(13-18)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)19-7-4-17(24)5-8-19/h3-10,12-14,29H,2,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607762
(CHEMBL5220494)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607765
(CHEMBL5218726)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416074
(CHEMBL1085853)Show SMILES CCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607769
(CHEMBL5219538)Show SMILES C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 |r,c:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607758
(CHEMBL5219991)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50603088
(CHEMBL5203965)Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607762
(CHEMBL5220494)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607760
(CHEMBL5219194)Show SMILES CCOc1ccc2C(C)C(=O)N(C)C=C(c3cc[nH]n3)c2c1 |t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607765
(CHEMBL5218726)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607766
(CHEMBL5220128)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607759
(CHEMBL5218813)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607763
(CHEMBL5218817)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn(C)cn3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416104
(CHEMBL1086261)Show SMILES CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C30H25F4N3O2S/c1-2-3-17-36(24-7-5-4-6-8-24)40(38,39)26-14-15-27(28(19-26)30(32,33)34)21-9-16-29-22(18-21)20-35-37(29)25-12-10-23(31)11-13-25/h4-16,18-20H,2-3,17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416084
(CHEMBL1083149)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526959
(CHEMBL4522991)Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416107
(CHEMBL1085380)Show SMILES CCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F4N3O2S/c1-2-11-29-33(31,32)19-8-9-20(21(13-19)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)18-6-4-17(24)5-7-18/h3-10,12-14,29H,2,11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c
BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526959
(CHEMBL4522991)Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607767
(CHEMBL5218909)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)[C@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607769
(CHEMBL5219538)Show SMILES C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 |r,c:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607760
(CHEMBL5219194)Show SMILES CCOc1ccc2C(C)C(=O)N(C)C=C(c3cc[nH]n3)c2c1 |t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607770
(CHEMBL5219919)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)C(CO)CO |r,c:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
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