BDBM259537 US9505749, 48

SMILES: O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1n[nH]c2ccccc12

InChI Key: InChIKey=YSXKCOVMSIANLW-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 = 259537   

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))	BDBM259537 (US9505749, 48) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C24H25N5O2/c30-22(11-5-10-21-25-19-8-3-2-7-18(19)24(31)26-21)29-14-12-16(13-15-29)23-17-6-1-4-9-20(17)27-28-23/h1-4,6-9,16H,5,10-15H2,(H,27,28)(H,25,26,31)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.15	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))	BDBM259537 (US9505749, 48) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C24H25N5O2/c30-22(11-5-10-21-25-19-8-3-2-7-18(19)24(31)26-21)29-14-12-16(13-15-29)23-17-6-1-4-9-20(17)27-28-23/h1-4,6-9,16H,5,10-15H2,(H,27,28)(H,25,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+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))	BDBM259537 (US9505749, 48) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C24H25N5O2/c30-22(11-5-10-21-25-19-8-3-2-7-18(19)24(31)26-21)29-14-12-16(13-15-29)23-17-6-1-4-9-20(17)27-28-23/h1-4,6-9,16H,5,10-15H2,(H,27,28)(H,25,26,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.98E+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
Tankyrase-2 (Homo sapiens (Human))	BDBM259537 (US9505749, 48) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C24H25N5O2/c30-22(11-5-10-21-25-19-8-3-2-7-18(19)24(31)26-21)29-14-12-16(13-15-29)23-17-6-1-4-9-20(17)27-28-23/h1-4,6-9,16H,5,10-15H2,(H,27,28)(H,25,26,31)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.596	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