BDBM259590 US9505749, 102

SMILES: Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1

InChI Key:

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 = 259590   

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))	BDBM259590 (US9505749, 102) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(7.74,-5.31,;8.06,-3.81,;9.52,-3.33,;9.84,-1.82,;8.7,-.79,;8.7,.75,;7.23,1.22,;6.46,2.56,;6.33,-.02,;4.79,-.02,;4.02,1.31,;2.48,1.31,;1.71,-.02,;2.48,-1.36,;4.02,-1.36,;.17,-.02,;-.6,1.31,;.17,2.64,;-2.14,1.31,;-2.91,2.64,;-4.45,2.64,;-5.22,1.31,;-6.76,1.31,;-7.53,-.02,;-9.07,-.02,;-9.84,1.31,;-9.07,2.64,;-7.53,2.64,;-6.76,3.98,;-7.53,5.31,;-5.22,3.98,;7.23,-1.27,;6.91,-2.77,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.118	n/a	n/a	n/a	n/a	n/a	n/a
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 US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM259590 (US9505749, 102) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(7.74,-5.31,;8.06,-3.81,;9.52,-3.33,;9.84,-1.82,;8.7,-.79,;8.7,.75,;7.23,1.22,;6.46,2.56,;6.33,-.02,;4.79,-.02,;4.02,1.31,;2.48,1.31,;1.71,-.02,;2.48,-1.36,;4.02,-1.36,;.17,-.02,;-.6,1.31,;.17,2.64,;-2.14,1.31,;-2.91,2.64,;-4.45,2.64,;-5.22,1.31,;-6.76,1.31,;-7.53,-.02,;-9.07,-.02,;-9.84,1.31,;-9.07,2.64,;-7.53,2.64,;-6.76,3.98,;-7.53,5.31,;-5.22,3.98,;7.23,-1.27,;6.91,-2.77,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM259590 (US9505749, 102) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(7.74,-5.31,;8.06,-3.81,;9.52,-3.33,;9.84,-1.82,;8.7,-.79,;8.7,.75,;7.23,1.22,;6.46,2.56,;6.33,-.02,;4.79,-.02,;4.02,1.31,;2.48,1.31,;1.71,-.02,;2.48,-1.36,;4.02,-1.36,;.17,-.02,;-.6,1.31,;.17,2.64,;-2.14,1.31,;-2.91,2.64,;-4.45,2.64,;-5.22,1.31,;-6.76,1.31,;-7.53,-.02,;-9.07,-.02,;-9.84,1.31,;-9.07,2.64,;-7.53,2.64,;-6.76,3.98,;-7.53,5.31,;-5.22,3.98,;7.23,-1.27,;6.91,-2.77,)| Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Tankyrase-2 (Homo sapiens (Human))	BDBM259590 (US9505749, 102) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(7.74,-5.31,;8.06,-3.81,;9.52,-3.33,;9.84,-1.82,;8.7,-.79,;8.7,.75,;7.23,1.22,;6.46,2.56,;6.33,-.02,;4.79,-.02,;4.02,1.31,;2.48,1.31,;1.71,-.02,;2.48,-1.36,;4.02,-1.36,;.17,-.02,;-.6,1.31,;.17,2.64,;-2.14,1.31,;-2.91,2.64,;-4.45,2.64,;-5.22,1.31,;-6.76,1.31,;-7.53,-.02,;-9.07,-.02,;-9.84,1.31,;-9.07,2.64,;-7.53,2.64,;-6.76,3.98,;-7.53,5.31,;-5.22,3.98,;7.23,-1.27,;6.91,-2.77,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.458	n/a	n/a	n/a	n/a	n/a	n/a
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 US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair