Reaction Details  Report a problem with these data
Target
Epithelial discoidin domain-containing receptor 1
Ligand
BDBM50236044
Substrate
n/a
Meas. Tech.
ChEMBL_1658727 (CHEMBL4008339)
IC50
265±n/a nM
Citation
 Liang, X; Lv, F; Wang, B; Yu, K; Wu, H; Qi, Z; Jiang, Z; Chen, C; Wang, A; Miao, W; Wang, W; Hu, Z; Liu, J; Liu, X; Zhao, Z; Wang, L; Zhang, S; Ye, Z; Wang, C; Ren, T; Wang, Y; Liu, Q; Liu, J Discovery of 2-((3-Acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-BMX-078) as a Highly Potent and Selective Type II Irreversible Bone Marrow Kinase in the X Chromosome (BMX) Kinase Inhibitor. J Med Chem 60:1793-1816 (2017) [PubMed]  Article
Target
Name:
Epithelial discoidin domain-containing receptor 1
Synonyms:
CAK | DDR1 | DDR1_HUMAN | Discoidin domain receptor 1 (DDR1) | Discoidin domain-containing receptor 1 (DDR1) | Discoidin receptor tyrosine kinase | EDDR1 | Epithelial discoidin domain receptor 1 | Epithelial discoidin domain receptor 1 (DDR1) | Epithelial discoidin domain-containing receptor 1 | Epithelial discoidin domain-containing receptor 1 (DDR1) | HGK2 | Mammary carcinoma kinase 10 | NEP | NTRK4 | PTK3A | Protein-tyrosine kinase RTK 6 | RTK6 | TRKE | Tyrosine-protein kinase CAK
Type:
Tyrosine-protein kinase
Mol. Mass.:
101130.02
Organism:
Homo sapiens (Human)
Description:
Q08345
Residue:
913
Sequence:
MGPEALSSLLLLLLVASGDADMKGHFDPAKCRYALGMQDRTIPDSDISASSSWSDSTAARHSRLESSDGDGAWCPAGSVFPKEEEYLQVDLQRLHLVALVGTQGRHAGGLGKEFSRSYRLRYSRDGRRWMGWKDRWGQEVISGNEDPEGVVLKDLGPPMVARLVRFYPRADRVMSVCLRVELYGCLWRDGLLSYTAPVGQTMYLSEAVYLNDSTYDGHTVGGLQYGGLGQLADGVVGLDDFRKSQELRVWPGYDYVGWSNHSFSSGYVEMEFEFDRLRAFQAMQVHCNNMHTLGARLPGGVECRFRRGPAMAWEGEPMRHNLGGNLGDPRARAVSVPLGGRVARFLQCRFLFAGPWLLFSEISFISDVVNNSSPALGGTFPPAPWWPPGPPPTNFSSLELEPRGQQPVAKAEGSPTAILIGCLVAIILLLLLIIALMLWRLHWRRLLSKAERRVLEEELTVHLSVPGDTILINNRPGPREPPPYQEPRPRGNPPHSAPCVPNGSALLLSNPAYRLLLATYARPPRGPGPPTPAWAKPTNTQAYSGDYMEPEKPGAPLLPPPPQNSVPHYAEADIVTLQGVTGGNTYAVPALPPGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDGQAAQGPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTV
  
Inhibitor
Name:
BDBM50236044
Synonyms:
CHEMBL4066104
Type:
Small organic molecule
Emp. Form.:
C33H35N7O6
Mol. Mass.:
625.6743
SMILES:
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
Structure:
Search PDB for entries with ligand similarity: