BDBM50096198 CHEMBL3593804

SMILES: CC(=O)Nc1ccccc1COc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O

InChI Key: InChIKey=RFXNFEOGLCADNR-YAXZTCQPSA-N

Data: 2 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 2 hits for monomerid = 50096198   

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))	BDBM50096198 (CHEMBL3593804) Show SMILES CC(=O)Nc1ccccc1COc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O Show InChI InChI=1S/C36H53N5O5/c1-6-24(3)15-9-8-10-17-28-34(43)38-29(21-26-22-41(46-5)30-18-12-11-16-27(26)30)35(44)39-33(25(4)7-2)32(42)23-40-20-14-13-19-31(40)36(45)37-28/h11-12,16,18,22,25,28-29,31,33H,3,6-10,13-15,17,19-21,23H2,1-2,4-5H3,(H,37,45)(H,38,43)(H,39,44)/t25?,28-,29-,31+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...				Bioorg Med Chem 23: 4669-80 (2015) Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50096198 (CHEMBL3593804) Show SMILES CC(=O)Nc1ccccc1COc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O Show InChI InChI=1S/C36H53N5O5/c1-6-24(3)15-9-8-10-17-28-34(43)38-29(21-26-22-41(46-5)30-18-12-11-16-27(26)30)35(44)39-33(25(4)7-2)32(42)23-40-20-14-13-19-31(40)36(45)37-28/h11-12,16,18,22,25,28-29,31,33H,3,6-10,13-15,17,19-21,23H2,1-2,4-5H3,(H,37,45)(H,38,43)(H,39,44)/t25?,28-,29-,31+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...				Bioorg Med Chem 23: 4669-80 (2015) Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K
					More data for this Ligand-Target Pair