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SMILES: C[C@@H]1[C@H](CN1Cc1cnc2cc(C)c(=O)[nH]c2c1)Oc1ccc(nc1)C(=O)N[C@H]1C[C@H](F)C1

InChI Key:

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 = 631060   
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
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM631060
PNG
(US11802128, Example 82)
Show SMILES C[C@@H]1[C@H](CN1Cc1cnc2cc(C)c(=O)[nH]c2c1)Oc1ccc(nc1)C(=O)N[C@H]1C[C@H](F)C1 |r,wU:2.20,28.31,wD:1.0,30.34,(2.92,-2.95,;2.15,-1.62,;.67,-1.22,;1.07,.27,;2.55,-.13,;3.89,.64,;5.22,-.13,;5.22,-1.67,;6.55,-2.44,;7.89,-1.67,;9.22,-2.44,;10.56,-1.67,;11.89,-2.44,;10.56,-.13,;11.89,.64,;9.22,.64,;7.89,-.13,;6.55,.64,;-.67,-1.99,;-2,-1.22,;-3.33,-1.99,;-4.67,-1.22,;-4.67,.32,;-3.33,1.09,;-2,.32,;-6,1.09,;-6,2.63,;-7.34,.32,;-8.67,1.09,;-10.16,.69,;-10.56,2.18,;-11.89,2.95,;-9.07,2.58,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM631060
PNG
(US11802128, Example 82)
Show SMILES C[C@@H]1[C@H](CN1Cc1cnc2cc(C)c(=O)[nH]c2c1)Oc1ccc(nc1)C(=O)N[C@H]1C[C@H](F)C1 |r,wU:2.20,28.31,wD:1.0,30.34,(2.92,-2.95,;2.15,-1.62,;.67,-1.22,;1.07,.27,;2.55,-.13,;3.89,.64,;5.22,-.13,;5.22,-1.67,;6.55,-2.44,;7.89,-1.67,;9.22,-2.44,;10.56,-1.67,;11.89,-2.44,;10.56,-.13,;11.89,.64,;9.22,.64,;7.89,-.13,;6.55,.64,;-.67,-1.99,;-2,-1.22,;-3.33,-1.99,;-4.67,-1.22,;-4.67,.32,;-3.33,1.09,;-2,.32,;-6,1.09,;-6,2.63,;-7.34,.32,;-8.67,1.09,;-10.16,.69,;-10.56,2.18,;-11.89,2.95,;-9.07,2.58,)|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair