BDBM50096204 CHEMBL3593813

SMILES: NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(c1)C(=O)N1CCCC1

InChI Key: InChIKey=YHUAYRYAJHEOFC-KINPZJHMSA-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 = 50096204   

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))	BDBM50096204 (CHEMBL3593813) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C35H51N5O5S/c1-5-23(3)32-31(42)22-39-19-13-12-18-30(39)34(44)36-27(16-9-7-8-14-25(41)6-2)33(43)37-28(35(46)38-32)20-24-21-40(45-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,27-28,30,32H,5-9,12-14,16,18-20,22H2,1-4H3,(H,36,44)(H,37,43)(H,38,46)/t23?,27-,28-,30+,32-/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	29	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))	BDBM50096204 (CHEMBL3593813) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C35H51N5O5S/c1-5-23(3)32-31(42)22-39-19-13-12-18-30(39)34(44)36-27(16-9-7-8-14-25(41)6-2)33(43)37-28(35(46)38-32)20-24-21-40(45-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,27-28,30,32H,5-9,12-14,16,18-20,22H2,1-4H3,(H,36,44)(H,37,43)(H,38,46)/t23?,27-,28-,30+,32-/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	2.80E+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