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SMILES: Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 388687   

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))	BDBM388687 (5-(4-((3S,8aS)-3-(4-chlorobenzyl)hexahydropyrrolo[...) Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1 |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))	BDBM388687 (5-(4-((3S,8aS)-3-(4-chlorobenzyl)hexahydropyrrolo[...) Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1 |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))	BDBM388687 (5-(4-((3S,8aS)-3-(4-chlorobenzyl)hexahydropyrrolo[...) Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1 |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))	BDBM388687 (5-(4-((3S,8aS)-3-(4-chlorobenzyl)hexahydropyrrolo[...) Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1 |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