BindingDB logo
myBDB logout

20 similar compounds to monomer 50092341

Compile data set for download or QSAR
Wt: 307.3
BDBM50312641
Wt: 463.5
BDBM50092340
Wt: 416.5
BDBM50092343
Wt: 348.4
BDBM50092342
Wt: 405.2
BDBM50208350
Wt: 426.9
BDBM50208351
Wt: 579.1
BDBM50208353
Wt: 553.0
BDBM50208354
Wt: 572.0
BDBM50208356
Wt: 461.4
BDBM50208357
Wt: 401.3
BDBM50230838
Wt: 331.3
BDBM50230839
Wt: 872.0
BDBM50230843
Wt: 328.3
BDBM50230842
Wt: 329.3
BDBM50230835
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50312641,50092340,50092343,50092342,50208350,50208351,50208353,50208354,50208356,50208357,50230838,50230839,50230843,50230842,50230835   
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(COC(C)=O)=C[C@H]3c2c(O)c1C(O)=O
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
98n/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 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
103n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(COC(C)=O)=C[C@H]3c2c(O)c1C(O)=O
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
912n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)[C@@](C)(O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.14E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES CCCCCc1cc(O)c2[C@@H]3[C@H](O)[C@@](C)(O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.67E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00066a005
BindingDB Entry DOI: 10.7270/Q2F191XX
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230842
PNG
(CHEMBL58226)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(C3=CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C18H17FN2O3/c19-15-7-13-16(8-12(15)10-3-5-20-6-4-10)21(11-1-2-11)9-14(17(13)22)18(23)24/h3,7-9,11,20H,1-2,4-6H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.900n/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)


Article DOI: 10.1021/jm00066a005
BindingDB Entry DOI: 10.7270/Q2F191XX
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.5n/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
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)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50208356
PNG
(CHEMBL3884738)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H31ClFN5O2/c1-20-29(33)25(19-26(35)30(20)34)32(41)37-27-18-23(10-13-28(27)39-16-14-38(2)15-17-39)21-8-11-24(12-9-21)36-31(40)22-6-4-3-5-7-22/h3-13,18-19H,14-17,35H2,1-2H3,(H,36,40)(H,37,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 422n/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))
BDBM50208357
PNG
(CHEMBL3884315)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H23N5O5/c1-26-11-13-27(14-12-26)23-10-7-18(17-5-8-20(9-6-17)28(31)32)16-22(23)25-24(30)19-3-2-4-21(15-19)29(33)34/h2-10,15-16H,11-14H2,1H3,(H,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 285n/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)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
MLL


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/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
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00066a005
BindingDB Entry DOI: 10.7270/Q2F191XX
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50230835
PNG
(CHEMBL58513)
Show SMILES NC1CCC(=C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C17H16FN3O3/c18-13-6-11-15(22)12(17(23)24)7-21(10-3-4-10)16(11)20-14(13)8-1-2-9(19)5-8/h5-7,9-10H,1-4,19H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/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)


Article DOI: 10.1021/jm00066a005
BindingDB Entry DOI: 10.7270/Q2F191XX
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50208351
PNG
(CHEMBL128767)
Show SMILES CCCCC(C)(C)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O/c1-4-5-12-22(2,3)20(28-19(30)16-8-10-17(23)11-9-16)29-21(26-15-24)27-18-7-6-13-25-14-18/h6-11,13-14,20H,4-5,12H2,1-3H3,(H,28,30)(H2,26,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q22V2J8T
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
Sortase A (SrtA)


(Staphylococcus aureus)
BDBM50312641
PNG
(CHEMBL453817 | Makaluvamine D)
Show SMILES Oc1ccc(CC=Nc2cc3NCCc4c[nH]c(c2O)c34)cc1
Show InChI InChI=1S/C18H17N3O2/c22-13-3-1-11(2-4-13)5-7-20-15-9-14-16-12(6-8-19-14)10-21-17(16)18(15)23/h1-4,7,9-10,19,21-23H,5-6,8H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.49E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus sortase A after 1 hr in the presence of fluorescent peptide Dabcul-QALPETGEE-Edans by fluorimetry


J Nat Prod 73: 258-62 (2010)


Article DOI: 10.1021/np9005629
BindingDB Entry DOI: 10.7270/Q2BV7HM8
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50208353
PNG
(CHEMBL3884726)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.5n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 301n/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))
BDBM50092340
PNG
(CHEMBL3581659)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(c3C)-c3ccccc3)c21
Show InChI InChI=1S/C28H25N5O2/c1-15-25(17(3)33(31-15)19-9-7-6-8-10-19)28-27-20-14-24(34-5)21(26-16(2)32-35-18(26)4)13-23(20)30-22(27)11-12-29-28/h6-14,30H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 316n/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