BDBM50020618 CHEMBL3290468

SMILES: NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccccc1

InChI Key: InChIKey=BFDGEDXDDHLCNG-LCYFTJDESA-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 = 50020618   

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))	BDBM50020618 (CHEMBL3290468) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccccc1 Show InChI InChI=1S/C16H11NO3/c17-16(19)12-8-4-7-11-14(18)13(20-15(11)12)9-10-5-2-1-3-6-10/h1-9H,(H2,17,19)/b13-9-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50020618 (CHEMBL3290468) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccccc1 Show InChI InChI=1S/C16H11NO3/c17-16(19)12-8-4-7-11-14(18)13(20-15(11)12)9-10-5-2-1-3-6-10/h1-9H,(H2,17,19)/b13-9-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50020618 (CHEMBL3290468) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccccc1 Show InChI InChI=1S/C16H11NO3/c17-16(19)12-8-4-7-11-14(18)13(20-15(11)12)9-10-5-2-1-3-6-10/h1-9H,(H2,17,19)/b13-9-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709
					More data for this Ligand-Target Pair