BDBM207624 US10501467, Example 69::US9260440, 69::US9617273, Example 69

SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34

InChI Key InChIKey=HNHYFXQIDONXEC-MRXNPFEDSA-N

Data  33 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 207624   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 0.900nMpH: 8.0Assay Description:PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells pre-incubated for 30 mins before add...More data for this Ligand-Target Pair
TargetIsoform 2 of Protein mono-ADP-ribosyltransferase PARP3 (Long)(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 185nMAssay Description:PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 766nMAssay Description:Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 900nMAssay Description:PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 500nMAssay Description:PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase B-raf [V600E](Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.85E+5nMAssay Description:PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 7.66E+5nMAssay Description:Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 900nMAssay Description:PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 500nMAssay Description:PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...More data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))
BEIGENE, LTD.

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.85E+5nMAssay Description:PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 7.66E+5nMAssay Description:Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 2.39E+4nMAssay Description:Inhibition of OAT3 (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.94E+4nMAssay Description:Inhibition of OATP1B3 (unknown origin)More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 4.78E+4nMAssay Description:Inhibition of OAT1 (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.94E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataEC50:  13nMAssay Description:Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 0.5 hrs by fluorescenc...More data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP12(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of PARP-12 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP11(Homo sapiens)
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of PARP-11 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP10(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of PARP-10 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP8(Homo sapiens)
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of PARP-8 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of PARP-7 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of PARP-6 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 140nMAssay Description:Inhibition of TNKS-2 (unknown origin) pre-incubated for 30 mins before addition of NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 230nMAssay Description:Inhibition of TNKS-1 (unknown origin) pre-incubated for 30 mins before addition of NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetProtein mono-ADP-ribosyltransferase PARP3(Homo sapiens (Human))
BEIGENE, LTD.

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 68nMAssay Description:Inhibition of PARP-3 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataEC50:  0.200nMAssay Description:Inhibition of PARP-1 in human HeLa cells incubated for 18 hrs in presence of H2O2More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibition of PARP-2 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assayMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
BeiGene, Ltd

US Patent
LigandPNGBDBM207624(US10501467, Example 69 | US9260440, 69 | US9617273...)
Show SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34
Show InChI InChI=1S/C16H13FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6H,2-4,7H2,1H3/t16-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...More data for this Ligand-Target Pair