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SMILES: Cc1sc-2c(c1C)C(=NC(CC(N)=O)c1cc(=O)n(C)cc-21)c1ccc(Cl)cc1

InChI Key: InChIKey=HGQVXIHUUVUMHN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448075   
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))
BDBM448075
PNG
(US10689395, Compound e | US11267820, Compound e)
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(N)=O)c1cc(=O)n(C)cc-21)c1ccc(Cl)cc1 |c:8|
Show InChI InChI=1S/C22H20ClN3O2S/c1-11-12(2)29-22-16-10-26(3)19(28)8-15(16)17(9-18(24)27)25-21(20(11)22)13-4-6-14(23)7-5-13/h4-8,10,17H,9H2,1-3H3,(H2,24,27)
PDB

KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20V8H1X
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM448075
PNG
(US10689395, Compound e | US11267820, Compound e)
Show SMILES Cc1sc-2c(c1C)C(=NC(CC(N)=O)c1cc(=O)n(C)cc-21)c1ccc(Cl)cc1 |c:8|
Show InChI InChI=1S/C22H20ClN3O2S/c1-11-12(2)29-22-16-10-26(3)19(28)8-15(16)17(9-18(24)27)25-21(20(11)22)13-4-6-14(23)7-5-13/h4-8,10,17H,9H2,1-3H3,(H2,24,27)
PDB

KEGG

UniProtKB/SwissProt

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



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689395 (2020)


BindingDB Entry DOI: 10.7270/Q21J9DTK
More data for this
Ligand-Target Pair