BDBM50096142 CHEMBL3593985

SMILES: CC(=O)Nc1cccc(c1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O

InChI Key: InChIKey=DTXVXYKICRFJQO-UHFFFAOYSA-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 = 50096142   

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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50096142 (CHEMBL3593985) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-17-5-2-4-16(12-17)14-8-10-15(11-9-14)22-25-19-7-3-6-18(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50096142 (CHEMBL3593985) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-17-5-2-4-16(12-17)14-8-10-15(11-9-14)22-25-19-7-3-6-18(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	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