BDBM50096203 CHEMBL3593812

SMILES: NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(N)nc1

InChI Key: InChIKey=PRFWXXWMOYTDHF-DVIYUJNASA-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 = 50096203   

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))	BDBM50096203 (CHEMBL3593812) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(N)nc1 Show InChI InChI=1S/C34H49N5O7/c1-4-22(2)31-29(40)21-38-18-12-11-16-28(38)34(45)35-25(14-7-5-6-8-17-30(41)42)32(43)36-26(33(44)37-31)19-23-20-39(46-3)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,4-8,11-12,14,16-19,21H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,41,42)/t22?,25-,26-,28+,31-/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	32	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))	BDBM50096203 (CHEMBL3593812) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(N)nc1 Show InChI InChI=1S/C34H49N5O7/c1-4-22(2)31-29(40)21-38-18-12-11-16-28(38)34(45)35-25(14-7-5-6-8-17-30(41)42)32(43)36-26(33(44)37-31)19-23-20-39(46-3)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,4-8,11-12,14,16-19,21H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,41,42)/t22?,25-,26-,28+,31-/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	2.00E+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