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BDBM185802 US9163003, 10

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

InChI Key: InChIKey=DDIZJESACWEABB-UHFFFAOYSA-N

Data: 4 IC50

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 = 185802   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185802
PNG
(US9163003, 10)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 6n/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 US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM185802
PNG
(US9163003, 10)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9.20E+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 US9163003 (2015)


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


(Homo sapiens (human))
BDBM185802
PNG
(US9163003, 10)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.36E+4n/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 US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185802
PNG
(US9163003, 10)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 27n/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 US9163003 (2015)


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