BDBM50254171 CHEMBL4069120

SMILES: CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O

InChI Key: InChIKey=RCRWJVBZMIOSTK-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50254171   

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
Chitinase (Hypocrea rufa)	BDBM50254171 (CHEMBL4069120) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI InChI=1S/C26H44N8O3/c1-29-25(35)32-23(27)30-16-10-4-2-3-5-11-17-34-18-12-6-7-13-19-37-22-15-9-8-14-21(22)20-31-24(28)33-26(34)36/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H3,28,31,33,36)(H4,27,29,30,32,35)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. Curated by ChEMBL					Assay Description Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...				Bioorg Med Chem Lett 27: 3332-3336 (2017) Article DOI: 10.1016/j.bmcl.2017.06.016 BindingDB Entry DOI: 10.7270/Q2HT2RSQ
					More data for this Ligand-Target Pair
Chitinase (Hypocrea rufa)	BDBM50254171 (CHEMBL4069120) Show SMILES CNC(=O)NC(=N)NCCCCCCCCN1CCCCCCOc2ccccc2CNC(=N)NC1=O Show InChI InChI=1S/C26H44N8O3/c1-29-25(35)32-23(27)30-16-10-4-2-3-5-11-17-34-18-12-6-7-13-19-37-22-15-9-8-14-21(22)20-31-24(28)33-26(34)36/h8-9,14-15H,2-7,10-13,16-20H2,1H3,(H3,28,31,33,36)(H4,27,29,30,32,35)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100 Siena, Italy. Curated by ChEMBL					Assay Description Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophoto...				Bioorg Med Chem Lett 27: 3332-3336 (2017) Article DOI: 10.1016/j.bmcl.2017.06.016 BindingDB Entry DOI: 10.7270/Q2HT2RSQ
					More data for this Ligand-Target Pair