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SMILES: Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1

InChI Key: InChIKey=CDXSMURPKCCXKD-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 4 hits for monomerid = 465378   
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 2


(Homo sapiens (Human))
BDBM465378
PNG
(US10793567, Compound 14 | US11225479, Compound 14)
Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+3n/an/an/an/an/an/a



Rodin Therapeutics, Inc.

US Patent


Assay Description
The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...


US Patent US10793567 (2020)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM465378
PNG
(US10793567, Compound 14 | US11225479, Compound 14)
Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM465378
PNG
(US10793567, Compound 14 | US11225479, Compound 14)
Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM465378
PNG
(US10793567, Compound 14 | US11225479, Compound 14)
Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a



Rodin Therapeutics, Inc.

US Patent


Assay Description
The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...


US Patent US10793567 (2020)

More data for this
Ligand-Target Pair