Target
Epithelial discoidin domain-containing receptor 1
Ligand
BDBM50430845
Substrate
n/a
Meas. Tech.
ChEMBL_945426 (CHEMBL2342537)
IC50
13±n/a nM
Citation
 Gao, MDuan, LLuo, JZhang, LLu, XZhang, YZhang, ZTu, ZXu, YRen, XDing, K Discovery and optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as novel selective and orally bioavailable discoidin domain receptor 1 (DDR1) inhibitors. J Med Chem 56:3281-95 (2013) [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:
BDBM50430845
Synonyms:
CHEMBL2336011
Type:
Small organic molecule
Emp. Form.:
C29H30N6O2
Mol. Mass.:
494.5875
SMILES:
COc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Structure:
Search PDB for entries with ligand similarity: