BDBM138300 US8877944, 2

SMILES: CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O

InChI Key: InChIKey=MLNXSIDFWZVCJU-JCNLHEQBSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 138300   

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 (Parp1) (Mus musculus)	BDBM138300 (US8877944, 2) Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| Show InChI InChI=1S/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1) (Mus musculus)	BDBM138300 (US8877944, 2) Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| Show InChI InChI=1S/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair