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Patent code US10106550

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM293925
PNG
(US10106550, Compound A6)
Show SMILES CC(=C)CCN1CCn2c(C1)nc1cccc3c1c2n[nH]c3=O
Show InChI InChI=1S/C17H19N5O/c1-11(2)6-7-21-8-9-22-14(10-21)18-13-5-3-4-12-15(13)16(22)19-20-17(12)23/h3-5H,1,6-10H2,2H3,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39.1n/an/an/an/an/an/a



SUZHOU KANGRUN PHARMACEUTICALS INC.

US Patent


Assay Description
US Trevigen company


US Patent US10106550 (2018)

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


(Homo sapiens (human))
BDBM293924
PNG
(US10106550, Compound A5)
Show SMILES O=c1[nH]nc2n3CCN(Cc4ccccc4)Cc3nc3cccc1c23
Show InChI InChI=1S/C19H17N5O/c25-19-14-7-4-8-15-17(14)18(21-22-19)24-10-9-23(12-16(24)20-15)11-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58.7n/an/an/an/an/an/a



SUZHOU KANGRUN PHARMACEUTICALS INC.

US Patent


Assay Description
US Trevigen company


US Patent US10106550 (2018)

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


(Homo sapiens (human))
BDBM293921
PNG
(US10106550, Compound A2)
Show SMILES CCN1CCn2c(C1)nc1cccc3c1c2n[nH]c3=O
Show InChI InChI=1S/C14H15N5O/c1-2-18-6-7-19-11(8-18)15-10-5-3-4-9-12(10)13(19)16-17-14(9)20/h3-5H,2,6-8H2,1H3,(H,17,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65.7n/an/an/an/an/an/a



SUZHOU KANGRUN PHARMACEUTICALS INC.

US Patent


Assay Description
US Trevigen company


US Patent US10106550 (2018)

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


(Homo sapiens (human))
BDBM293920
PNG
(US10106550, Compound A1)
Show SMILES O=c1[nH]nc2n3CCNCc3nc3cccc1c23
Show InChI InChI=1S/C12H11N5O/c18-12-7-2-1-3-8-10(7)11(15-16-12)17-5-4-13-6-9(17)14-8/h1-3,13H,4-6H2,(H,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90.5n/an/an/an/an/an/a



SUZHOU KANGRUN PHARMACEUTICALS INC.

US Patent


Assay Description
US Trevigen company


US Patent US10106550 (2018)

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


(Homo sapiens (human))
BDBM293923
PNG
(US10106550, Compound A4)
Show SMILES CC(C)N1CCn2c(C1)nc1cccc3c1c2n[nH]c3=O
Show InChI InChI=1S/C15H17N5O/c1-9(2)19-6-7-20-12(8-19)16-11-5-3-4-10-13(11)14(20)17-18-15(10)21/h3-5,9H,6-8H2,1-2H3,(H,18,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 111n/an/an/an/an/an/a



SUZHOU KANGRUN PHARMACEUTICALS INC.

US Patent


Assay Description
US Trevigen company


US Patent US10106550 (2018)

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


(Homo sapiens (human))
BDBM293922
PNG
(US10106550, Compound A3)
Show SMILES CN1CCn2c(C1)nc1cccc3c1c2n[nH]c3=O
Show InChI InChI=1S/C13H13N5O/c1-17-5-6-18-10(7-17)14-9-4-2-3-8-11(9)12(18)15-16-13(8)19/h2-4H,5-7H2,1H3,(H,16,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/a



SUZHOU KANGRUN PHARMACEUTICALS INC.

US Patent


Assay Description
US Trevigen company


US Patent US10106550 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%