BDBM50444584 CHEMBL3099718::US9340549, 95

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N

InChI Key: InChIKey=SOHHQHWGZGODEC-YSSFQJQWSA-N

Data: 3 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 3 hits for monomerid = 50444584   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tankyrase-1 (Homo sapiens (Human))	BDBM50444584 (CHEMBL3099718 | US9340549, 95) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N |r,wU:17.22,7.8,wD:14.15,(26.78,-18.45,;28.12,-19.21,;26.8,-19.99,;29.01,-17.95,;30.48,-18.41,;31.72,-17.5,;30.5,-19.95,;29.04,-20.44,;28.31,-21.8,;26.77,-21.84,;26.04,-23.2,;26.85,-24.51,;28.4,-24.45,;29.12,-23.1,;31.75,-20.85,;31.74,-22.4,;33.08,-23.17,;34.42,-22.4,;34.41,-20.85,;33.08,-20.08,;35.74,-23.16,;37.07,-22.39,;38.4,-23.15,;38.41,-24.7,;39.75,-25.47,;37.08,-25.47,;35.74,-24.7,;37.09,-27.01,;37.09,-28.55,)| Show InChI InChI=1S/C23H26N4O2/c1-23(2)20(16-6-4-3-5-7-16)27(22(28)29-23)19-10-8-15(9-11-19)18-12-17(13-24)21(25)26-14-18/h3-7,12,14-15,19-20H,8-11H2,1-2H3,(H2,25,26)/t15-,19-,20-/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.98	n/a	n/a	n/a	n/a	n/a	25
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50444584 (CHEMBL3099718 | US9340549, 95) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N |r,wU:17.22,7.8,wD:14.15,(26.78,-18.45,;28.12,-19.21,;26.8,-19.99,;29.01,-17.95,;30.48,-18.41,;31.72,-17.5,;30.5,-19.95,;29.04,-20.44,;28.31,-21.8,;26.77,-21.84,;26.04,-23.2,;26.85,-24.51,;28.4,-24.45,;29.12,-23.1,;31.75,-20.85,;31.74,-22.4,;33.08,-23.17,;34.42,-22.4,;34.41,-20.85,;33.08,-20.08,;35.74,-23.16,;37.07,-22.39,;38.4,-23.15,;38.41,-24.7,;39.75,-25.47,;37.08,-25.47,;35.74,-24.7,;37.09,-27.01,;37.09,-28.55,)| Show InChI InChI=1S/C23H26N4O2/c1-23(2)20(16-6-4-3-5-7-16)27(22(28)29-23)19-10-8-15(9-11-19)18-12-17(13-24)21(25)26-14-18/h3-7,12,14-15,19-20H,8-11H2,1-2H3,(H2,25,26)/t15-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				ACS Med Chem Lett 4: 1218-23 (2013) Article DOI: 10.1021/ml4003315 BindingDB Entry DOI: 10.7270/Q2DJ5H4R
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50444584 (CHEMBL3099718 | US9340549, 95) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N |r,wU:17.22,7.8,wD:14.15,(26.78,-18.45,;28.12,-19.21,;26.8,-19.99,;29.01,-17.95,;30.48,-18.41,;31.72,-17.5,;30.5,-19.95,;29.04,-20.44,;28.31,-21.8,;26.77,-21.84,;26.04,-23.2,;26.85,-24.51,;28.4,-24.45,;29.12,-23.1,;31.75,-20.85,;31.74,-22.4,;33.08,-23.17,;34.42,-22.4,;34.41,-20.85,;33.08,-20.08,;35.74,-23.16,;37.07,-22.39,;38.4,-23.15,;38.41,-24.7,;39.75,-25.47,;37.08,-25.47,;35.74,-24.7,;37.09,-27.01,;37.09,-28.55,)| Show InChI InChI=1S/C23H26N4O2/c1-23(2)20(16-6-4-3-5-7-16)27(22(28)29-23)19-10-8-15(9-11-19)18-12-17(13-24)21(25)26-14-18/h3-7,12,14-15,19-20H,8-11H2,1-2H3,(H2,25,26)/t15-,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PARP2 (unknown origin)				ACS Med Chem Lett 4: 1218-23 (2013) Article DOI: 10.1021/ml4003315 BindingDB Entry DOI: 10.7270/Q2DJ5H4R
					More data for this Ligand-Target Pair