BDBM259575 US9505749, 86

SMILES: Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1

InChI Key:

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 = 259575   

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))	BDBM259575 (US9505749, 86) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(5.96,-4.68,;6.73,-3.35,;8.27,-3.35,;9.04,-2.02,;8.27,-.68,;8.74,.78,;7.5,1.69,;7.5,3.23,;6.25,.78,;4.76,1.18,;4.36,2.67,;2.88,3.07,;1.79,1.98,;2.19,.49,;3.67,.09,;.3,2.37,;-1.03,3.14,;-1.03,4.68,;-2.37,2.37,;-3.7,3.14,;-5.03,2.37,;-5.03,.83,;-6.37,.06,;-6.37,-1.48,;-7.7,-2.25,;-9.04,-1.48,;-9.04,.06,;-7.7,.83,;-7.7,2.37,;-9.04,3.14,;-6.37,3.14,;6.73,-.68,;5.96,-2.02,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01	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))	BDBM259575 (US9505749, 86) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(5.96,-4.68,;6.73,-3.35,;8.27,-3.35,;9.04,-2.02,;8.27,-.68,;8.74,.78,;7.5,1.69,;7.5,3.23,;6.25,.78,;4.76,1.18,;4.36,2.67,;2.88,3.07,;1.79,1.98,;2.19,.49,;3.67,.09,;.3,2.37,;-1.03,3.14,;-1.03,4.68,;-2.37,2.37,;-3.7,3.14,;-5.03,2.37,;-5.03,.83,;-6.37,.06,;-6.37,-1.48,;-7.7,-2.25,;-9.04,-1.48,;-9.04,.06,;-7.7,.83,;-7.7,2.37,;-9.04,3.14,;-6.37,3.14,;6.73,-.68,;5.96,-2.02,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	279	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))	BDBM259575 (US9505749, 86) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(5.96,-4.68,;6.73,-3.35,;8.27,-3.35,;9.04,-2.02,;8.27,-.68,;8.74,.78,;7.5,1.69,;7.5,3.23,;6.25,.78,;4.76,1.18,;4.36,2.67,;2.88,3.07,;1.79,1.98,;2.19,.49,;3.67,.09,;.3,2.37,;-1.03,3.14,;-1.03,4.68,;-2.37,2.37,;-3.7,3.14,;-5.03,2.37,;-5.03,.83,;-6.37,.06,;-6.37,-1.48,;-7.7,-2.25,;-9.04,-1.48,;-9.04,.06,;-7.7,.83,;-7.7,2.37,;-9.04,3.14,;-6.37,3.14,;6.73,-.68,;5.96,-2.02,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.347	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