Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM388666
Substrate
n/a
Meas. Tech.
Human CHIT1 Activity Assay
IC50
55000±n/a nM
Citation
Mazur, M; Koralewski, R; Borek, B; Olejniczak, S; Czestkowski, WJ; Piotrowicz, MC; Olczak, JP; Golebiowski, AA; Bartoszewicz, A; Maziarz, E; Kowalski, M Substituted amino triazoles useful as human chitinase inhibitors US Patent US9944624 Publication Date 4/17/2018
More Info.:
Target
Name:
Chitotriosidase-1
Synonyms:
CHIT1 | CHIT1_HUMAN | Chitinase 1 | Chitinase-1 | Chitotriosidase | Chitotriosidase-1 | Chitotriosidase-1 (CHIT1)
Type:
Enzyme
Mol. Mass.:
51682.25
Organism:
Homo sapiens (Human)
Description:
Q13231
Residue:
466
Sequence:
MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSLCTHLIYAFAGMTNHQLSTTEWNDETLYQEFNGLKKMNPKLKTLLAIGGWNFGTQKFTDMVATANNRQTFVNSAIRFLRKYSFDGLDLDWEYPGSQGSPAVDKERFTTLVQDLANAFQQEAQTSGKERLLLSAAVPAGQTYVDAGYEVDKIAQNLDFVNLMAYDFHGSWEKVTGHNSPLYKRQEESGAAASLNVDAAVQQWLQKGTPASKLILGMPTYGRSFTLASSSDTRVGAPATGSGTPGPFTKEGGMLAYYEVCSWKGATKQRIQDQKVPYIFRDNQWVGFDDVESFKTKVSYLKQKGLGGAMVWALDLDDFAGFSCNQGRYPLIQTLRQELSLPYLPSGTPELEVPKPGQPSEPEHGPSPGQDTFCQGKADGLYPNPRERSSFYSCAAGRLFQQSCPTGLVFSNSCKCCTWN
Inhibitor
Name:
BDBM388666
Synonyms:
(S)-5-(4-(2-(4-chlorobenzyl)-4-methylpiperazin-1-yl)piperidin-1-yl)-4H-1,2,4-triazol-3-amine | US10538508, Example 28 | US9944624, Ex. 28
Type:
Small organic molecule
Emp. Form.:
C19H28ClN7
Mol. Mass.:
389.926
SMILES:
CN1CCN(C(Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1nnc(N)[nH]1