BDBM213897 BDBM213987::US9283222, Table 3, Compound 4

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1

InChI Key: InChIKey=JSBBKNLIIQFNOK-UHFFFAOYSA-N

Data: 2 KI

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 = 213897   

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))	BDBM213897 (BDBM213987 | US9283222, Table 3, Compound 4) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1 Show InChI InChI=1S/C19H21FN4O2/c20-15-6-5-11(8-17(15)22-18(25)12-9-21-10-12)7-16-13-3-1-2-4-14(13)19(26)24-23-16/h5-6,8,12,21H,1-4,7,9-10H2,(H,22,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213897 (BDBM213987 | US9283222, Table 3, Compound 4) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1 Show InChI InChI=1S/C19H21FN4O2/c20-15-6-5-11(8-17(15)22-18(25)12-9-21-10-12)7-16-13-3-1-2-4-14(13)19(26)24-23-16/h5-6,8,12,21H,1-4,7,9-10H2,(H,22,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair