BDBM27525 N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide::indeno[1,2-c]isoquinolinone, 11a

SMILES: O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12

InChI Key: InChIKey=LTZVLHHIAUKGBP-UHFFFAOYSA-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 = 27525   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27525 (N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo...) Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	22
Inotek Pharmaceuticals Corporation					Assay Description The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (...				J Med Chem 48: 5100-3 (2005) Article DOI: 10.1021/jm0502891 BindingDB Entry DOI: 10.7270/Q2GF0RT9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27525 (N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo...) Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Brain Science Institute Curated by ChEMBL					Assay Description Inhibition of PARP1				J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27525 (N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo...) Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Jeil Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem Lett 20: 2250-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.014 BindingDB Entry DOI: 10.7270/Q25M65VX
					More data for this Ligand-Target Pair