Ki Summary

Reaction Details

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Target

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1

Ligand

BDBM50580351

Substrate

n/a

Meas. Tech.

ChEMBL_2148141 (CHEMBL5032487)

IC50

5.0±n/a nM

Citation

Blass, BE Cyclic ADP Ribose Hydrolase (CD38) Inhibitors. ACS Med Chem Lett 13:13-14 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1

Synonyms:

CD38 | CD38_HUMAN | Lymphocyte differentiation antigen CD38

Type:

PROTEIN

Mol. Mass.:

34333.62

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1509931

Residue:

300

Sequence:

MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI

Inhibitor

Name:

BDBM50580351

Synonyms:

CHEMBL5083478

Type:

Small organic molecule

Emp. Form.:

C22H28N6O3

Mol. Mass.:

424.4961

SMILES:

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.25,-27.1,;22.92,-26.32,;21.58,-27.09,;20.25,-26.32,;18.91,-27.09,;17.59,-26.31,;17.59,-24.77,;16.26,-24,;14.93,-24.77,;14.93,-26.31,;16.26,-27.08,;13.59,-24.01,;12.26,-24.78,;12.26,-26.32,;10.92,-24.02,;9.6,-24.79,;8.27,-24.04,;8.26,-22.49,;9.59,-21.71,;10.92,-22.48,;9.58,-20.17,;8.34,-19.27,;8.81,-17.8,;10.35,-17.8,;10.83,-19.26,;6.93,-24.82,;6.78,-26.35,;5.27,-26.69,;4.49,-25.35,;2.96,-25.2,;5.51,-24.2,)|

Structure: