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16 similar compounds to monomer 50229915

Compile data set for download or QSAR
Wt: 437.5
BDBM50229914
Wt: 293.3
BDBM50092339
Wt: 405.2
BDBM50208350
Wt: 553.0
BDBM50208354
Wt: 401.3
BDBM50230838
Wt: 331.3
BDBM50230839
Wt: 872.0
BDBM50230843
Wt: 427.9
BDBM50229909
Wt: 580.6
BDBM50229910
Wt: 277.3
BDBM50229911
Wt: 401.3
BDBM50230836
Wt: 423.5
BDBM50229912
Wt: 395.4
BDBM50229913
Wt: 466.7
BDBM50229916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50229914,50092339,50208350,50208354,50230838,50230839,50230843,50229909,50229910,50229911,50230836,50229912,50229913,50229916   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50230843
PNG
(CHEMBL2062130 | U-85548E)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C40H73N9O12/c1-11-22(10)33(39(59)48-32(21(8)9)40(60)61)49-34(54)23(19(4)5)15-28(51)25(14-18(2)3)45-36(56)26(16-30(42)53)46-35(55)24(12-13-29(41)52)44-37(57)27(17-50)47-38(58)31(43)20(6)7/h18-28,31-33,50-51H,11-17,43H2,1-10H3,(H2,41,52)(H2,42,53)(H,44,57)(H,45,56)(H,46,55)(H,47,58)(H,48,59)(H,49,54)(H,60,61)/t22-,23-,24-,25-,26-,27-,28-,31-,32-,33-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity against HIV-1 aspartic proteinase was determined


J Med Chem 36: 2142-67 (1993)


Article DOI: 10.1021/jm00067a013
BindingDB Entry DOI: 10.7270/Q28C9WWQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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241 -9.02n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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US Patent
366 -8.77 1.35E+3n/an/an/an/a7.525



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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US Patent
498 -8.59n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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650 -8.43n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 1 domain(BRD3 BD1)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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730 -8.37n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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824n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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824 -8.29n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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850 -8.28 2.90E+3n/an/an/an/a7.525



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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1.64E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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1.64E+3 -7.89n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229913
PNG
(CHEMBL99751)
Show SMILES CCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C23H21N7/c1-2-6-21-25-20-9-5-14-24-23(20)30(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)22-26-28-29-27-22/h3-5,7-14H,2,6,15H2,1H3,(H,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229914
PNG
(CHEMBL98907)
Show SMILES CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H27N7/c1-4-5-10-23-28-24-17(2)15-18(3)27-26(24)33(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)25-29-31-32-30-25/h6-9,11-15H,4-5,10,16H2,1-3H3,(H,29,30,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229916
PNG
(CHEMBL322371)
Show SMILES CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@@H](N)CCCN=C(N)N
Show InChI InChI=1S/C25H50N6O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(32)31-19-13-12-15-21(31)20-30-24(33)22(26)16-14-18-29-25(27)28/h21-22H,2-20,26H2,1H3,(H,30,33)(H4,27,28,29)/t21?,22-/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of [32P] incorporation into histones by rat brain partially purified Protein kinase C in the presence of PMA, [Ca2+] and phosphat...


J Med Chem 34: 2928-31 (1991)


Article DOI: 10.1021/jm00113a038
BindingDB Entry DOI: 10.7270/Q2KH0NZG
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 7.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/an/a 14n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human WDR5 by isothermal titration calorimetry


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229912
PNG
(CHEMBL315104)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H25N7/c1-4-7-22-27-23-16(2)14-17(3)26-25(23)32(22)15-18-10-12-19(13-11-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,28,29,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Exploratory Chemistry Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin receptor from rabbit aorta


J Med Chem 34: 2919-22 (1991)


Article DOI: 10.1021/jm00113a035
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50229909
PNG
(CHEMBL83403)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C26H22ClN3O/c1-18-15-25(28-17-19-7-3-2-4-8-19)22-16-21(12-13-24(22)29-18)30-26(31)14-11-20-9-5-6-10-23(20)27/h2-16H,17H2,1H3,(H,28,29)(H,30,31)/b14-11+
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.


J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50229911
PNG
(CHEMBL87445)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3)ccc2n1
Show InChI InChI=1S/C17H15N3O/c1-11-9-15(18)14-10-13(7-8-16(14)19-11)20-17(21)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19)(H,20,21)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.


J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50229910
PNG
(CHEMBL263759)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(NCc5ccccc5)c4c3)ccc2n1
Show InChI InChI=1S/C36H32N6O2/c1-23-17-33(37-21-25-9-5-3-6-10-25)29-19-27(13-15-31(29)39-23)41-35(43)36(44)42-28-14-16-32-30(20-28)34(18-24(2)40-32)38-22-26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3,(H,37,39)(H,38,40)(H,41,43)(H,42,44)
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n/an/a>50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.


J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50229909
PNG
(CHEMBL83403)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C26H22ClN3O/c1-18-15-25(28-17-19-7-3-2-4-8-19)22-16-21(12-13-24(22)29-18)30-26(31)14-11-20-9-5-6-10-23(20)27/h2-16H,17H2,1H3,(H,28,29)(H,30,31)/b14-11+
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n/an/an/an/a 5n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release


J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230839
PNG
(CHEMBL15087)
Show SMILES NC1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)
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n/an/a 2.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of the gyrase mediated cleavage of supercoiled DNA


J Med Chem 36: 1964-70 (1993)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230838
PNG
(CHEMBL540707)
Show SMILES NC1CCC(=C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H14F3N3O3/c21-10-2-4-16(14(22)6-10)26-8-13(20(28)29)18(27)12-7-15(23)17(25-19(12)26)9-1-3-11(24)5-9/h2,4-8,11H,1,3,24H2,(H,28,29)
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n/an/a 6.30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of the gyrase mediated cleavage of supercoiled DNA


J Med Chem 36: 1964-70 (1993)

More data for this
Ligand-Target Pair
MLL


(Homo sapiens (Human))
BDBM50208354
PNG
(CHEMBL3884329)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1
Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 190n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay


Eur J Med Chem 124: 480-489 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50208350
PNG
(CHEMBL128062)
Show SMILES Cc1cccc(c1)C(=O)NC(\N=C(/NC#N)Nc1cccnc1)C(C)(Cl)Cl
Show InChI InChI=1S/C18H18Cl2N6O/c1-12-5-3-6-13(9-12)15(27)25-16(18(2,19)20)26-17(23-11-21)24-14-7-4-8-22-10-14/h3-10,16H,1-2H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 5.01E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.063
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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n/an/a 4.59E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092339
PNG
(CHEMBL3581648 | US9675697, RX-7)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21
Show InChI InChI=1S/C17H15N3O2/c1-9-17(10(2)22-20-9)12-6-15-11(7-16(12)21-3)13-8-18-5-4-14(13)19-15/h4-8,19H,1-3H3
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n/an/a 2.69E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230836
PNG
(CHEMBL411723)
Show SMILES OC(=O)c1cn(-c2ccc(F)cc2F)c2nc(C3=CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C20H14F3N3O3/c21-11-1-2-16(14(22)7-11)26-9-13(20(28)29)18(27)12-8-15(23)17(25-19(12)26)10-3-5-24-6-4-10/h1-3,7-9,24H,4-6H2,(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of the gyrase mediated cleavage of supercoiled DNA


J Med Chem 36: 1964-70 (1993)

More data for this
Ligand-Target Pair