BDBM50439812 CHEMBL2419711

SMILES: O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=SKYFUELJMZKOQQ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50439812   

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))	BDBM50439812 (CHEMBL2419711) Show SMILES O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H21N3O2S/c27-22(13-12-17-7-2-1-3-8-17)26(15-18-9-6-14-29-18)16-21-24-20-11-5-4-10-19(20)23(28)25-21/h1-11,14H,12-13,15-16H2,(H,24,25,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM50439812 (CHEMBL2419711) Show SMILES O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H21N3O2S/c27-22(13-12-17-7-2-1-3-8-17)26(15-18-9-6-14-29-18)16-21-24-20-11-5-4-10-19(20)23(28)25-21/h1-11,14H,12-13,15-16H2,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	937	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair