BDBM388670 5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl)piperidin-1-yl)-4H-1,2,4-triazol-3-amine ::US10538508, Example 32::US9944624, Ex. 32

SMILES: CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1

InChI Key:

Data: 4 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 = 388670   

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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM388670 (5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-(cyclohexylmeth...) Show SMILES CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q22N54MD
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM388670 (5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-(cyclohexylmeth...) Show SMILES CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. US Patent					Assay Description An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). Th...				US Patent US10538508 (2020) BindingDB Entry DOI: 10.7270/Q2W37ZQC
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM388670 (5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-(cyclohexylmeth...) Show SMILES CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. US Patent					Assay Description An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). T...				US Patent US10538508 (2020) BindingDB Entry DOI: 10.7270/Q2W37ZQC
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM388670 (5-(4-((2S,5S)-2-(4-chlorobenzyl)-5-(cyclohexylmeth...) Show SMILES CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1nnc(N)[nH]1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). Th...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q22N54MD
					More data for this Ligand-Target Pair