BDBM50514115 CHEMBL4447716

SMILES: Cc1ccc(-c2[nH]c3ncccc3c2CCC(=O)N2CCOC[C@H]2c2nc3ccccc3[nH]2)c(c1)-c1ccccc1

InChI Key: InChIKey=NWWYHKMOCXEJLJ-PMERELPUSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514115   

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
COP9 signalosome complex subunit 5 (Csn5) (Homo sapiens (Human))	BDBM50514115 (CHEMBL4447716) Show SMILES Cc1ccc(-c2[nH]c3ncccc3c2CCC(=O)N2CCOC[C@H]2c2nc3ccccc3[nH]2)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C34H31N5O2/c1-22-13-14-25(27(20-22)23-8-3-2-4-9-23)32-24(26-10-7-17-35-33(26)38-32)15-16-31(40)39-18-19-41-21-30(39)34-36-28-11-5-6-12-29(28)37-34/h2-14,17,20,30H,15-16,18-19,21H2,1H3,(H,35,38)(H,36,37)/t30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CSN5 (unknown origin) using fluorescence-labeled CRL substrate by TR-FRET assay				J Med Chem 63: 2731-2750 (2020) Article DOI: 10.1021/acs.jmedchem.9b01138
					More data for this Ligand-Target Pair				3D Structure (crystal)