BindingDB logo
myBDB logout

Patent code US9957263

Compile Data Set for Download or QSAR

Found 371 hits of Enzyme Inhibition Constant Data   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260067
PNG
(CHEMBL4078267 | US9957263, Example 78)
Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.600n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390899
PNG
(N-{4-(2,4-difluorophenoxy)-3-[2-(3-methoxyprop-1-y...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC
Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-17-10-11-23(36-25-21(27)8-5-9-22(25)28)18(14-17)20-15-31(2)26(32)24-19(20)13-16(29-24)7-6-12-35-3/h5,8-11,13-15,29-30H,4,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.605n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50156345
PNG
(CHEMBL3787680 | US9957263, Example 149)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C30H37N5O4S/c1-3-40(37,38)23-9-10-28(39-22-7-5-4-6-8-22)24(15-23)26-19-34(2)30(36)29-25(26)16-27(33-29)20-17-32-35(18-20)21-11-13-31-14-12-21/h9-10,15-19,21-22,31,33H,3-8,11-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
0.669n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390749
PNG
(US9957263, Example 11)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(O)=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H19F2N3O6S/c1-3-35(32,33)27-18-9-14(16-11-28(2)22(29)21-13(16)6-7-26-21)20(10-15(18)23(30)31)34-19-5-4-12(24)8-17(19)25/h4-11,26-27H,3H2,1-2H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260067
PNG
(CHEMBL4078267 | US9957263, Example 78)
Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.900n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390791
PNG
(US9957263, Example 53)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H27N3O8S2/c1-32-17-24(22-12-13-30-28(22)29(32)33)23-15-20(41(4,34)35)8-10-25(23)40-19-7-5-6-18(14-19)31-42(36,37)21-9-11-26(38-2)27(16-21)39-3/h5-17,30-31H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390749
PNG
(US9957263, Example 11)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(O)=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H19F2N3O6S/c1-3-35(32,33)27-18-9-14(16-11-28(2)22(29)21-13(16)6-7-26-21)20(10-15(18)23(30)31)34-19-5-4-12(24)8-17(19)25/h4-11,26-27H,3H2,1-2H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390787
PNG
(US9957263, Example 49)
Show SMILES CS(=O)(=O)c1ccc(Oc2cccc(NS(=O)(=O)C3CC3)c2)c(c1)-c1c[nH]c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H19N3O6S2/c1-33(28,29)17-7-8-21(19(12-17)20-13-25-23(27)22-18(20)9-10-24-22)32-15-4-2-3-14(11-15)26-34(30,31)16-5-6-16/h2-4,7-13,16,26H,5-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390790
PNG
(US9957263, Example 52)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C28H24FN3O6S2/c1-17-13-18(29)7-10-26(17)40(36,37)31-19-5-4-6-20(14-19)38-25-9-8-21(39(3,34)35)15-23(25)24-16-32(2)28(33)27-22(24)11-12-30-27/h4-16,30-31H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260084
PNG
(CHEMBL4096313 | US9957263, Example 110)
Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390792
PNG
(US9957263, Example 54)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3ccc(cc3)S(C)(=O)=O)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H25N3O8S3/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(41(3,35)36)11-12-26(24)39-19-6-4-5-18(15-19)30-42(37,38)21-9-7-20(8-10-21)40(2,33)34/h4-17,29-30H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390813
PNG
(US9957263, Example 76)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3ccc4OCCOc4c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C30H27N3O6S/c1-33-18-25(23-10-11-31-29(23)30(33)34)24-16-22(40(2,35)36)7-9-26(24)39-21-5-3-4-20(15-21)32-17-19-6-8-27-28(14-19)38-13-12-37-27/h3-11,14-16,18,31-32H,12-13,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390788
PNG
(US9957263, Example 50)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C28H25N3O6S2/c1-18-6-4-9-22(14-18)39(35,36)30-19-7-5-8-20(15-19)37-26-11-10-21(38(3,33)34)16-24(26)25-17-31(2)28(32)27-23(25)12-13-29-27/h4-17,29-30H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260065
PNG
(CHEMBL4088597 | US9957263, Example 63)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCN(C)C
Show InChI InChI=1/C25H27F2N3O4S/c1-5-35(32,33)18-8-9-22(34-15-16-13-25(16,26)27)19(12-18)21-14-30(4)24(31)23-20(21)11-17(28-23)7-6-10-29(2)3/h8-9,11-12,14,16,28H,5,10,13,15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390798
PNG
(US9957263, Example 61)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3ccc(cc3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H24N4O4S/c1-33-18-26(24-12-13-31-28(24)29(33)34)25-15-23(38(2,35)36)10-11-27(25)37-22-5-3-4-21(14-22)32-17-20-8-6-19(16-30)7-9-20/h3-15,18,31-32H,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390811
PNG
(US9957263, Example 74)
Show SMILES CN(C)CCCOc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C33H36N4O5S/c1-36(2)17-6-18-41-25-11-9-23(10-12-25)21-35-24-7-5-8-26(19-24)42-31-14-13-27(43(4,39)40)20-29(31)30-22-37(3)33(38)32-28(30)15-16-34-32/h5,7-16,19-20,22,34-35H,6,17-18,21H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390799
PNG
(US9957263, Example 62)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3ccc(F)cc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H24FN3O4S/c1-32-17-25(23-12-13-30-27(23)28(32)33)24-15-22(37(2,34)35)10-11-26(24)36-21-5-3-4-20(14-21)31-16-18-6-8-19(29)9-7-18/h3-15,17,30-31H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390746
PNG
(US9957263, Example 8)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(N)=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20F2N4O5S/c1-3-35(32,33)28-18-9-14(16-11-29(2)23(31)21-13(16)6-7-27-21)20(10-15(18)22(26)30)34-19-5-4-12(24)8-17(19)25/h4-11,27-28H,3H2,1-2H3,(H2,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390924
PNG
(US9957263, Example 188)
Show SMILES CN1CCN(Cc2cc3c(cn(C)c(=O)c3[nH]2)-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)C(C1)c1ccccc1
Show InChI InChI=1/C33H32F2N4O4S/c1-37-13-14-39(29(20-37)21-7-5-4-6-8-21)18-23-16-26-27(19-38(2)33(40)32(26)36-23)25-17-24(44(3,41)42)10-12-30(25)43-31-11-9-22(34)15-28(31)35/h4-12,15-17,19,29,36H,13-14,18,20H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.56n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390806
PNG
(US9957263, Example 69)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(OC(F)(F)F)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H24F3N3O5S/c1-35-17-25(23-11-12-33-27(23)28(35)36)24-15-22(41(2,37)38)9-10-26(24)39-20-7-4-6-19(14-20)34-16-18-5-3-8-21(13-18)40-29(30,31)32/h3-15,17,33-34H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390845
PNG
(US9957263, Example 109)
Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C28H30F2N4O3S/c1-34-16-24(22-11-12-31-27(22)28(34)35)23-14-21(38(2,36)37)9-10-26(23)33-20-7-5-19(6-8-20)32-15-17-3-4-18(29)13-25(17)30/h3-4,9-14,16,19-20,31-33H,5-8,15H2,1-2H3/t19-,20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390750
PNG
(US9957263, Example 12)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H28F2N4O6S/c1-3-41(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)6-9-31-26)25(40-24-5-4-16(29)12-22(24)30)14-20(23)27(35)32-17-7-10-39-11-8-17/h4-6,9,12-15,17,31,33H,3,7-8,10-11H2,1-2H3,(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390870
PNG
(US9957263, Example 134)
Show SMILES CCNC(=O)\C=C\c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(=O)(=O)CC
Show InChI InChI=1S/C29H31N3O5S/c1-6-30-26(33)14-11-20-15-23-24(17-32(5)29(34)27(23)31-20)22-16-21(38(35,36)7-2)12-13-25(22)37-28-18(3)9-8-10-19(28)4/h8-17,31H,6-7H2,1-5H3,(H,30,33)/b14-11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.62n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390899
PNG
(N-{4-(2,4-difluorophenoxy)-3-[2-(3-methoxyprop-1-y...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC
Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-17-10-11-23(36-25-21(27)8-5-9-22(25)28)18(14-17)20-15-31(2)26(32)24-19(20)13-16(29-24)7-6-12-35-3/h5,8-11,13-15,29-30H,4,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.64n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390747
PNG
(US9957263, Example 9)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCCC1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H28F2N4O5S/c1-3-40(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)10-11-31-26)25(39-24-9-8-16(29)12-22(24)30)14-20(23)27(35)32-17-6-4-5-7-17/h8-15,17,31,33H,3-7H2,1-2H3,(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390803
PNG
(US9957263, Example 66)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(O)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H25N3O5S/c1-31-17-25(23-11-12-29-27(23)28(31)33)24-15-22(37(2,34)35)9-10-26(24)36-21-8-4-6-19(14-21)30-16-18-5-3-7-20(32)13-18/h3-15,17,29-30,32H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390743
PNG
(US9957263, Example 5)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCN(C)CC1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H31F2N5O4S/c1-4-40(37,38)32-24-15-21(22-17-34(3)28(36)27-20(22)7-8-31-27)26(39-25-6-5-19(29)14-23(25)30)13-18(24)16-35-11-9-33(2)10-12-35/h5-8,13-15,17,31-32H,4,9-12,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260066
PNG
(CHEMBL4067346 | US9957263, Example 4)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C27H28F2N4O5S/c1-3-39(35,36)31-23-14-20(21-16-32(2)27(34)26-19(21)6-7-30-26)25(38-24-5-4-18(28)13-22(24)29)12-17(23)15-33-8-10-37-11-9-33/h4-7,12-14,16,30-31H,3,8-11,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390784
PNG
(US9957263, Example 46)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C30H29N3O6S2/c1-19(2)20-8-10-23(11-9-20)41(37,38)32-21-6-5-7-22(16-21)39-28-13-12-24(40(4,35)36)17-26(28)27-18-33(3)30(34)29-25(27)14-15-31-29/h5-19,31-32H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390750
PNG
(US9957263, Example 12)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H28F2N4O6S/c1-3-41(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)6-9-31-26)25(40-24-5-4-16(29)12-22(24)30)14-20(23)27(35)32-17-7-10-39-11-8-17/h4-6,9,12-15,17,31,33H,3,7-8,10-11H2,1-2H3,(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390746
PNG
(US9957263, Example 8)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(N)=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20F2N4O5S/c1-3-35(32,33)28-18-9-14(16-11-29(2)23(31)21-13(16)6-7-27-21)20(10-15(18)22(26)30)34-19-5-4-12(24)8-17(19)25/h4-11,27-28H,3H2,1-2H3,(H2,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390773
PNG
(US9957263, Example 35)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(c2)C(=O)NCCN2CCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H30N4O5S/c1-31-18-24(22-10-11-29-26(22)28(31)34)23-17-21(38(2,35)36)8-9-25(23)37-20-7-5-6-19(16-20)27(33)30-12-15-32-13-3-4-14-32/h5-11,16-18,29H,3-4,12-15H2,1-2H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390776
PNG
(US9957263, Example 38)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)Cc3ccccc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H25N3O6S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(38(2,33)34)11-12-26(24)37-21-10-6-9-20(15-21)30-39(35,36)18-19-7-4-3-5-8-19/h3-17,29-30H,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390778
PNG
(US9957263, Example 40)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3cccc(F)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H22FN3O6S2/c1-31-16-24(22-11-12-29-26(22)27(31)32)23-15-20(38(2,33)34)9-10-25(23)37-19-7-4-6-18(14-19)30-39(35,36)21-8-3-5-17(28)13-21/h3-16,29-30H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390797
PNG
(US9957263, Example 60)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H24N4O4S/c1-33-18-26(24-11-12-31-28(24)29(33)34)25-15-23(38(2,35)36)9-10-27(25)37-22-8-4-7-21(14-22)32-17-20-6-3-5-19(13-20)16-30/h3-15,18,31-32H,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390747
PNG
(US9957263, Example 9)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCCC1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H28F2N4O5S/c1-3-40(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)10-11-31-26)25(39-24-9-8-16(29)12-22(24)30)14-20(23)27(35)32-17-6-4-5-7-17/h8-15,17,31,33H,3-7H2,1-2H3,(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390744
PNG
(US9957263, Example 6)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CO)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H21F2N3O5S/c1-3-34(31,32)27-19-10-16(17-11-28(2)23(30)22-15(17)6-7-26-22)21(8-13(19)12-29)33-20-5-4-14(24)9-18(20)25/h4-11,26-27,29H,3,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390790
PNG
(US9957263, Example 52)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C28H24FN3O6S2/c1-17-13-18(29)7-10-26(17)40(36,37)31-19-5-4-6-20(14-19)38-25-9-8-21(39(3,34)35)15-23(25)24-16-32(2)28(33)27-22(24)11-12-30-27/h4-16,30-31H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390782
PNG
(US9957263, Example 44)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H25N3O7S2/c1-18(33)19-7-9-22(10-8-19)41(37,38)31-20-5-4-6-21(15-20)39-27-12-11-23(40(3,35)36)16-25(27)26-17-32(2)29(34)28-24(26)13-14-30-28/h4-17,30-31H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390802
PNG
(US9957263, Example 65)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCC3CCCO3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C26H27N3O5S/c1-29-16-23(21-10-11-27-25(21)26(29)30)22-14-20(35(2,31)32)8-9-24(22)34-18-6-3-5-17(13-18)28-15-19-7-4-12-33-19/h3,5-6,8-11,13-14,16,19,27-28H,4,7,12,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260068
PNG
(CHEMBL4075943 | US9957263, Example 39)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1
Show InChI InChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
2.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390795
PNG
(US9957263, Example 57)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H22N4O6S2/c1-32-17-25(23-11-12-30-27(23)28(32)33)24-15-21(39(2,34)35)9-10-26(24)38-20-7-4-6-19(14-20)31-40(36,37)22-8-3-5-18(13-22)16-29/h3-15,17,30-31H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260084
PNG
(CHEMBL4096313 | US9957263, Example 110)
Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
2.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390880
PNG
(N-[4-(diethylamino)butyl]-4-[2-(2,6-dimethylphenox...)
Show SMILES CCN(CC)CCCCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(C)(=O)=O
Show InChI InChI=1S/C32H40N4O5S/c1-7-36(8-2)17-10-9-16-33-31(37)27-19-25-26(20-35(5)32(38)29(25)34-27)24-18-23(42(6,39)40)14-15-28(24)41-30-21(3)12-11-13-22(30)4/h11-15,18-20,34H,7-10,16-17H2,1-6H3,(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.34n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390786
PNG
(US9957263, Example 48)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3cccc(OC(F)F)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H23F2N3O7S2/c1-33-16-24(22-11-12-31-26(22)27(33)34)23-15-20(41(2,35)36)9-10-25(23)39-18-6-3-5-17(13-18)32-42(37,38)21-8-4-7-19(14-21)40-28(29)30/h3-16,28,31-32H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390796
PNG
(US9957263, Example 58)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H21ClFN3O6S2/c1-32-15-22(20-10-11-30-26(20)27(32)33)21-14-19(39(2,34)35)7-8-24(21)38-18-5-3-4-17(13-18)31-40(36,37)25-9-6-16(29)12-23(25)28/h3-15,30-31H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390914
PNG
(US9957263, Example 178)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1ccc(cc1Oc1c(C)cccc1C)C(=O)N(CCN(CC)CC)c1ccccc1OC
Show InChI InChI=1S/C39H45N5O5/c1-8-40-37(45)31-23-29-30(24-42(6)39(47)35(29)41-31)28-19-18-27(22-34(28)49-36-25(4)14-13-15-26(36)5)38(46)44(21-20-43(9-2)10-3)32-16-11-12-17-33(32)48-7/h11-19,22-24,41H,8-10,20-21H2,1-7H3,(H,40,45)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390754
PNG
(US9957263, Example 16)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(c1)-c1cn(C)c(=O)c2[nH]c(CN3CCN(CC3)c3ccncc3)cc12
Show InChI InChI=1/C30H33F2N5O4S/c1-3-42(39,40)23-4-5-27(41-19-20-16-30(20,31)32)24(15-23)26-18-35(2)29(38)28-25(26)14-21(34-28)17-36-10-12-37(13-11-36)22-6-8-33-9-7-22/h4-9,14-15,18,20,34H,3,10-13,16-17,19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390849
PNG
(US9957263, Example 113)
Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc(Cl)cc2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C28H31ClN4O3S/c1-33-17-25(23-13-14-30-27(23)28(33)34)24-15-22(37(2,35)36)11-12-26(24)32-21-9-7-20(8-10-21)31-16-18-3-5-19(29)6-4-18/h3-6,11-15,17,20-21,30-32H,7-10,16H2,1-2H3/t20-,21-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390923
PNG
(US9957263, Example 187)
Show SMILES CN(CCCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(C)(=O)=O)C1CCCCC1
Show InChI InChI=1S/C34H42N4O5S/c1-22-11-9-12-23(2)32(22)43-30-16-15-25(44(5,41)42)19-26(30)28-21-38(4)34(40)31-27(28)20-29(36-31)33(39)35-17-10-18-37(3)24-13-7-6-8-14-24/h9,11-12,15-16,19-21,24,36H,6-8,10,13-14,17-18H2,1-5H3,(H,35,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.52n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9957263 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 371 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%