BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 55 hits from Chinese Academy of Sciences   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353589
PNG
(CHEMBL1828979)
Show SMILES Cc1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.4n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50080413
PNG
(CHEMBL3422265)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)OC(C)=O
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432472
PNG
(CHEMBL2349340)
Show SMILES Cc1[nH]nc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(29)30-24(4,5)6)22-20(23)13(2)27-28-22/h7-10,17H,11H2,1-6H3,(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50080412
PNG
(CHEMBL3422266)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1[C@H](O)CC2=O
Show InChI InChI=1S/C24H38O5/c1-13(25)29-15-12-17-22(4)9-8-18(27)21(2,3)16(22)7-10-23(17,5)24(6)19(28)11-14(26)20(15)24/h14-18,20,26-27H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,20+,22+,23-,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
JAK3


(Homo sapiens)
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50080424
PNG
(CHEMBL3422264)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Show InChI InChI=1S/C23H38O4/c1-20(2)15-7-10-22(4)16(21(15,3)9-8-17(20)25)11-13(24)19-14(27-6)12-18(26)23(19,22)5/h13-17,19,24-25H,7-12H2,1-6H3/t13-,14-,15+,16-,17+,19-,21+,22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432476
PNG
(CHEMBL2349361)
Show SMILES O=C(Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1)c1cccs1
Show InChI InChI=1S/C18H13N3O4S4/c22-17(15-3-1-5-26-15)19-12-7-11(14-10-28-18(23)20-14)8-13(9-12)21-29(24,25)16-4-2-6-27-16/h1-10,21H,(H,19,22)(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432472
PNG
(CHEMBL2349340)
Show SMILES Cc1[nH]nc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O2S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(29)30-24(4,5)6)22-20(23)13(2)27-28-22/h7-10,17H,11H2,1-6H3,(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of bromodomain BRD4-mediated c-myc mRNA expression in human HT-29 cells after 24 hrs by RT-qPCR analysis relative to control


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 377n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50080411
PNG
(CHEMBL3422415)
Show SMILES C[C@]12[C@@H](C=CC1=O)[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Show InChI InChI=1S/C22H34O3/c1-19(2)15-8-11-21(4)16(20(15,3)10-9-17(19)24)12-14(23)13-6-7-18(25)22(13,21)5/h6-7,13-17,23-24H,8-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 395n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432474
PNG
(CHEMBL2349363)
Show SMILES O=C(CCc1ccccc1)Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C22H19N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h1-7,10-14,25H,8-9H2,(H,23,26)(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens)
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 653n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432473
PNG
(CHEMBL2349462)
Show SMILES CCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-12-7-11(14-10-26-17(22)19-14)8-13(9-12)20-27(23,24)16-5-3-6-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432475
PNG
(CHEMBL2349362)
Show SMILES O=C(CCC1CCCCC1)Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432478
PNG
(CHEMBL2349358)
Show SMILES CCCC(=O)Nc1cc(ccc1NS(=O)(=O)c1cccs1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C17H17N3O4S3/c1-2-4-15(21)18-13-9-11(14-10-26-17(22)19-14)6-7-12(13)20-27(23,24)16-5-3-8-25-16/h3,5-10,20H,2,4H2,1H3,(H,18,21)(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432477
PNG
(CHEMBL2349359)
Show SMILES O=C(Nc1cc(ccc1NS(=O)(=O)c1cccs1)-c1csc(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C19H19N3O4S3/c23-18(12-4-1-2-5-12)20-15-10-13(16-11-28-19(24)21-16)7-8-14(15)22-29(25,26)17-6-3-9-27-17/h3,6-12,22H,1-2,4-5H2,(H,20,23)(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432481
PNG
(CHEMBL2349355)
Show SMILES Nc1cc(NS(=O)(=O)c2cccs2)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C13H11N3O3S3/c14-9-4-8(11-7-21-13(17)15-11)5-10(6-9)16-22(18,19)12-2-1-3-20-12/h1-7,16H,14H2,(H,15,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432479
PNG
(CHEMBL2349357)
Show SMILES O=C(CCc1ccccc1)Nc1cc(ccc1NS(=O)(=O)c1cccs1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C22H19N3O4S3/c26-20(11-8-15-5-2-1-3-6-15)23-18-13-16(19-14-31-22(27)24-19)9-10-17(18)25-32(28,29)21-7-4-12-30-21/h1-7,9-10,12-14,25H,8,11H2,(H,23,26)(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50080424
PNG
(CHEMBL3422264)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Show InChI InChI=1S/C23H38O4/c1-20(2)15-7-10-22(4)16(21(15,3)9-8-17(20)25)11-13(24)19-14(27-6)12-18(26)23(19,22)5/h13-17,19,24-25H,7-12H2,1-6H3/t13-,14-,15+,16-,17+,19-,21+,22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50080411
PNG
(CHEMBL3422415)
Show SMILES C[C@]12[C@@H](C=CC1=O)[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Show InChI InChI=1S/C22H34O3/c1-19(2)15-8-11-21(4)16(20(15,3)10-9-17(19)24)12-14(23)13-6-7-18(25)22(13,21)5/h6-7,13-17,23-24H,8-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,21+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50080413
PNG
(CHEMBL3422265)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)OC(C)=O
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432482
PNG
(CHEMBL2349354)
Show SMILES Oc1cc(ccc1NS(=O)(=O)c1cccs1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C13H10N2O4S3/c16-11-6-8(10-7-21-13(17)14-10)3-4-9(11)15-22(18,19)12-2-1-5-20-12/h1-7,15-16H,(H,14,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432480
PNG
(CHEMBL2349356)
Show SMILES O=C(Cc1ccccc1)Nc1cc(ccc1NS(=O)(=O)c1cccs1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C21H17N3O4S3/c25-19(11-14-5-2-1-3-6-14)22-17-12-15(18-13-30-21(26)23-18)8-9-16(17)24-31(27,28)20-7-4-10-29-20/h1-10,12-13,24H,11H2,(H,22,25)(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432485
PNG
(CHEMBL2349350)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H11FN2O3S2/c16-11-4-6-13(7-5-11)23(20,21)18-12-3-1-2-10(8-12)14-9-22-15(19)17-14/h1-9,18H,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432486
PNG
(CHEMBL2349349)
Show SMILES O=c1[nH]c(cs1)-c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432487
PNG
(CHEMBL2349347)
Show SMILES O=c1[nH]c(cs1)-c1cccc(NS(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C16H14N2O3S2/c19-16-17-15(10-22-16)13-7-4-8-14(9-13)18-23(20,21)11-12-5-2-1-3-6-12/h1-10,18H,11H2,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (T790M)


(Homo sapiens (human))
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.28E+3n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432488
PNG
(CHEMBL2349346)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C16H14N2O4S2/c1-22-13-5-7-14(8-6-13)24(20,21)18-12-4-2-3-11(9-12)15-10-23-16(19)17-15/h2-10,18H,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50080412
PNG
(CHEMBL3422266)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1[C@H](O)CC2=O
Show InChI InChI=1S/C24H38O5/c1-13(25)29-15-12-17-22(4)9-8-18(27)21(2,3)16(22)7-10-23(17,5)24(6)19(28)11-14(26)20(15)24/h14-18,20,26-27H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,20+,22+,23-,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM102620
PNG
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)
Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.25E+3n/an/an/an/an/an/a



Chinese Academy of Sciences





ACS Chem Biol 8: 1423-8 (2013)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2V40SVG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by sc...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432484
PNG
(CHEMBL2349351)
Show SMILES O=c1[nH]c(cs1)-c1cccc(NS(=O)(=O)c2cccnc2)c1
Show InChI InChI=1S/C14H11N3O3S2/c18-14-16-13(9-21-14)10-3-1-4-11(7-10)17-22(19,20)12-5-2-6-15-8-12/h1-9,17H,(H,16,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432483
PNG
(CHEMBL2346691)
Show SMILES O=c1[nH]c(cs1)-c1cccc(NCCc2ccccc2)c1
Show InChI InChI=1S/C17H16N2OS/c20-17-19-16(12-21-17)14-7-4-8-15(11-14)18-10-9-13-5-2-1-3-6-13/h1-8,11-12,18H,9-10H2,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.28E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432490
PNG
(CHEMBL2349344)
Show SMILES Nc1ccc(cc1O)-c1csc(=O)[nH]1
Show InChI InChI=1S/C9H8N2O2S/c10-6-2-1-5(3-8(6)12)7-4-14-9(13)11-7/h1-4,12H,10H2,(H,11,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.38E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432493
PNG
(CHEMBL2349341)
Show SMILES Clc1cccc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C9H6ClNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50080424
PNG
(CHEMBL3422264)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Show InChI InChI=1S/C23H38O4/c1-20(2)15-7-10-22(4)16(21(15,3)9-8-17(20)25)11-13(24)19-14(27-6)12-18(26)23(19,22)5/h13-17,19,24-25H,7-12H2,1-6H3/t13-,14-,15+,16-,17+,19-,21+,22-,23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.55E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50080413
PNG
(CHEMBL3422265)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)OC(C)=O
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.07E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432492
PNG
(CHEMBL2349342)
Show SMILES Nc1cccc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C9H8N2OS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432489
PNG
(CHEMBL2349345)
Show SMILES Nc1cc(N)cc(c1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C9H9N3OS/c10-6-1-5(2-7(11)3-6)8-4-14-9(13)12-8/h1-4H,10-11H2,(H,12,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.07E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432491
PNG
(CHEMBL2349343)
Show SMILES Nc1ccc(cc1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C9H8N2OS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence an...


J Med Chem 56: 3833-51 (2013)


Article DOI: 10.1021/jm301793a
BindingDB Entry DOI: 10.7270/Q2P55PVX
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50080413
PNG
(CHEMBL3422265)
Show SMILES CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)OC(C)=O
Show InChI InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.55E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)


(Mus musculus (mouse))
BDBM50080410
PNG
(CHEMBL3422416)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C24H36O4/c1-14(25)28-16-13-18-22(4)11-10-19(26)21(2,3)17(22)9-12-23(18,5)24(6)15(16)7-8-20(24)27/h7-8,15-19,26H,9-13H2,1-6H3/t15-,16+,17-,18+,19-,22-,23+,24-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.17E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (human))
BDBM50080411
PNG
(CHEMBL3422415)
Show SMILES C[C@]12[C@@H](C=CC1=O)[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Show InChI InChI=1S/C22H34O3/c1-19(2)15-8-11-21(4)16(20(15,3)10-9-17(19)24)12-14(23)13-6-7-18(25)22(13,21)5/h6-7,13-17,23-24H,8-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,21+,22-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.84E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assa...


J Nat Prod 78: 330-4 (2015)


Article DOI: 10.1021/np500896n
BindingDB Entry DOI: 10.7270/Q2930VWF
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 55 total )  |  Next  |  Last  >>
Jump to: