BDBM50537058 CHEMBL4531719

SMILES: CCCCc1cn(nn1)-c1ccc(NC(=O)Nc2ccccc2C)cc1

InChI Key: InChIKey=LZPQWTRWEKFHPZ-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50537058   

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
ATP-dependent RNA helicase DDX1 (Homo sapiens (Human))	BDBM50537058 (CHEMBL4531719) Show SMILES CCCCc1cn(nn1)-c1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human DDX1 helicase activity				J Med Chem 62: 2333-2347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01403
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DDX3X (Homo sapiens (Human))	BDBM50537058 (CHEMBL4531719) Show SMILES CCCCc1cn(nn1)-c1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DDX3X (Homo sapiens (Human))	BDBM50537058 (CHEMBL4531719) Show SMILES CCCCc1cn(nn1)-c1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His-tagged DDX3X expressed in Escherichia coli using dsRNA as substrate measured after 40 mins in presenc...				ACS Med Chem Lett 11: 956-962 (2020)
					More data for this Ligand-Target Pair
ATP-dependent RNA helicase DDX3X (Homo sapiens (Human))	BDBM50537058 (CHEMBL4531719) Show SMILES CCCCc1cn(nn1)-c1ccc(NC(=O)Nc2ccccc2C)cc1 Show InChI InChI=1S/C20H23N5O/c1-3-4-8-17-14-25(24-23-17)18-12-10-16(11-13-18)21-20(26)22-19-9-6-5-7-15(19)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,21,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human DDX3X ATPase activity using DDX3 as substrate by ADP-Glo kinase assay				J Med Chem 62: 2333-2347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01403
					More data for this Ligand-Target Pair