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BDBM185804 US9163003, 12::USRE46942, Example 12

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O

InChI Key: InChIKey=DDIZJESACWEABB-GNLPSFAGNA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 185804   
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 tankyrase-2


(Homo sapiens (Human))
BDBM185804
PNG
(US9163003, 12 | USRE46942, Example 12)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1/C24H27FN4O4/c25-17-3-1-15(2-4-17)22(30)16-5-9-28(10-6-16)20-7-11-29(24(20)32)13-21-26-19-8-12-33-14-18(19)23(31)27-21/h1-4,16,20H,5-14H2,(H,26,27,31)/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.12E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM185804
PNG
(US9163003, 12 | USRE46942, Example 12)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1/C24H27FN4O4/c25-17-3-1-15(2-4-17)22(30)16-5-9-28(10-6-16)20-7-11-29(24(20)32)13-21-26-19-8-12-33-14-18(19)23(31)27-21/h1-4,16,20H,5-14H2,(H,26,27,31)/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.34E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent USRE46942 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM185804
PNG
(US9163003, 12 | USRE46942, Example 12)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1/C24H27FN4O4/c25-17-3-1-15(2-4-17)22(30)16-5-9-28(10-6-16)20-7-11-29(24(20)32)13-21-26-19-8-12-33-14-18(19)23(31)27-21/h1-4,16,20H,5-14H2,(H,26,27,31)/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.12E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent USRE46942 (2018)

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


(Homo sapiens (Human))
BDBM185804
PNG
(US9163003, 12 | USRE46942, Example 12)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1/C24H27FN4O4/c25-17-3-1-15(2-4-17)22(30)16-5-9-28(10-6-16)20-7-11-29(24(20)32)13-21-26-19-8-12-33-14-18(19)23(31)27-21/h1-4,16,20H,5-14H2,(H,26,27,31)/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.34E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair