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3 similar compounds to monomer 50156199

Compile data set for download or QSAR
Wt: 557.5
BDBM50229804
Wt: 597.7
BDBM50112343
Wt: 465.6
BDBM50156211

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229804,50112343,50156211   
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))
BDBM50112343
PNG
(CHEMBL3609313)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCc3ccccc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H43N7O3/c1-4-28-33(43)40(3)29-21-35-34(38-31(29)41(28)26-12-8-9-13-26)37-27-15-14-24(32(42)36-25-16-18-39(2)19-17-25)20-30(27)44-22-23-10-6-5-7-11-23/h5-7,10-11,14-15,20-21,25-26,28H,4,8-9,12-13,16-19,22H2,1-3H3,(H,36,42)(H,35,37,38)/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50229804
PNG
(CHEMBL90647)
Show SMILES Oc1nc2cc3cc(OCCCC(=O)N4CCN(CC4)C(c4ccc(F)cc4)c4ccc(F)cc4)ccc3[nH]c2n1
Show InChI InChI=1S/C31H29F2N5O3/c32-23-7-3-20(4-8-23)29(21-5-9-24(33)10-6-21)38-15-13-37(14-16-38)28(39)2-1-17-41-25-11-12-26-22(18-25)19-27-30(34-26)36-31(40)35-27/h3-12,18-19,29H,1-2,13-17H2,(H2,34,35,36,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet c-AMP phosphodiesterase PDE 3


J Med Chem 35: 2688-96 (1992)


Article DOI: 10.1021/jm00092a020
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156211
PNG
(CHEMBL3782008)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCC1(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H31N3O3S/c1-28-14-16-29(17-15-28)24-18-21(10-11-25(24)32-2)33(30,31)27-19-26(12-13-26)23-9-5-7-20-6-3-4-8-22(20)23/h3-11,18,27H,12-17,19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair