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BDBM413919 US10421756, Compound 103

SMILES: Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncn1

InChI Key: InChIKey=FASOYXRDVWLWFU-UHFFFAOYSA-N

Data: 2 Kd

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 = 413919   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM413919
PNG
(US10421756, Compound 103)
Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncn1
Show InChI InChI=1S/C18H16N6O/c19-15-2-1-12(16-4-6-21-11-22-16)7-17(15)23-18(25)24-9-13-3-5-20-8-14(13)10-24/h1-8,11H,9-10,19H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.75E+3n/an/an/an/an/a



Rodin Therapeutics, Inc.

US Patent


Assay Description
HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...


US Patent US10421756 (2019)


BindingDB Entry DOI: 10.7270/Q2PK0JGK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM413919
PNG
(US10421756, Compound 103)
Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncn1
Show InChI InChI=1S/C18H16N6O/c19-15-2-1-12(16-4-6-21-11-22-16)7-17(15)23-18(25)24-9-13-3-5-20-8-14(13)10-24/h1-8,11H,9-10,19H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.75E+3n/an/an/an/an/a



Rodin Therapeutics, Inc.

US Patent


Assay Description
HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...


US Patent US10421756 (2019)


BindingDB Entry DOI: 10.7270/Q2PK0JGK
More data for this
Ligand-Target Pair