BDBM50165499 1-(4-Methoxy-phenyl)-3-methyl-1H-pyrazole-4-carboxylic acid [3-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl]-amide::CHEMBL382950

SMILES: COc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)c(C)n1

InChI Key: InChIKey=IDDORVJBROPAJK-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165499   

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))	BDBM50165499 (1-(4-Methoxy-phenyl)-3-methyl-1H-pyrazole-4-carbox...) Show SMILES COc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)c(C)n1 Show InChI InChI=1S/C27H23N5O3/c1-17-24(16-32(31-17)20-10-12-21(35-2)13-11-20)26(33)28-19-7-5-6-18(14-19)15-25-22-8-3-4-9-23(22)27(34)30-29-25/h3-14,16H,15H2,1-2H3,(H,28,33)(H,30,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Horsham Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1)				Bioorg Med Chem Lett 15: 2235-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.026 BindingDB Entry DOI: 10.7270/Q2QV3M0B
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