Reaction Details Report a problem with these data
Target
Epithelial discoidin domain-containing receptor 1
Ligand
BDBM50260041
Substrate
n/a
Meas. Tech.
ChEMBL_1692346 (CHEMBL4042995)
IC50
6.6±n/a nM
Citation
 Wang, Z; Zhang, Y; Bartual, SG; Luo, J; Xu, T; Du, W; Xun, Q; Tu, Z; Brekken, RA; Ren, X; Bullock, AN; Liang, G; Lu, X; Ding, K Tetrahydroisoquinoline-7-carboxamide Derivatives as New Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. ACS Med Chem Lett 8:327-332 (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:
BDBM50260041
Synonyms:
CHEMBL4097012
Type:
Small organic molecule
Emp. Form.:
C29H33F3N6O
Mol. Mass.:
538.6071
SMILES:
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
Structure:
Search PDB for entries with ligand similarity: