Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM349961
Substrate
n/a
Meas. Tech.
Human CHIT1 Activity Assay
IC50
<100±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:
BDBM349961
Synonyms:
3-(4-((2S,4R)-2-(4-chlorobenzyl)-4-methoxypyrrolidin-1-yl)piperidin-1-yl)-1H-1,2,4-triazol-5-amine | US10208020, Example 51 | US10538508, Example 51 | US9944624, Ex. 51
Type:
Small organic molecule
Emp. Form.:
C19H27ClN6O
Mol. Mass.:
390.91
SMILES:
CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1n[nH]c(N)n1 |r|