Reaction Details Report a problem with these data
Target
Neuropilin-1
Ligand
BDBM94087
Substrate
n/a
IC50
>95000±n/a nM
Citation
 PubChem, PC Dose Response confirmation of small molecule modulators of the interaction between CendR and NRP-1 in a panel assay PubChem Bioassay (2012)[AID] 
Target
Name:
Neuropilin-1
Synonyms:
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1 | NRP | NRP1 | NRP1_HUMAN | Neuropilin-1 | VEGF165R
Type:
PROTEIN
Mol. Mass.:
103122.09
Organism:
Homo sapiens (Human)
Description:
ChEMBL_617636
Residue:
923
Sequence:
MERGLPLLCAVLALVLAPAGAFRNDKCGDTIKIESPGYLTSPGYPHSYHPSEKCEWLIQAPDPYQRIMINFNPHFDLEDRDCKYDYVEVFDGENENGHFRGKFCGKIAPPPVVSSGPFLFIKFVSDYETHGAGFSIRYEIFKRGPECSQNYTTPSGVIKSPGFPEKYPNSLECTYIVFVPKMSEIILEFESFDLEPDSNPPGGMFCRYDRLEIWDGFPDVGPHIGRYCGQKTPGRIRSSSGILSMVFYTDSAIAKEGFSANYSVLQSSVSEDFKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSYREWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITIKEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVYGCKITDYPCSGMLGMVSGLISDSQITSSNQGDRNWMPENIRLVTSRSGWALPPAPHSYINEWLQIDLGEEKIVRGIIIQGGKHRENKVFMRKFKIGYSNNGSDWKMIMDDSKRKAKSFEGNNNYDTPELRTFPALSTRFIRIYPERATHGGLGLRMELLGCEVEAPTAGPTTPNGNLVDECDDDQANCHSGTGDDFQLTGGTTVLATEKPTVIDSTIQSEFPTYGFNCEFGWGSHKTFCHWEHDNHVQLKWSVLTSKTGPIQDHTGDGNFIYSQADENQKGKVARLVSPVVYSQNSAHCMTFWYHMSGSHVGTLRVKLRYQKPEEYDQLVWMAIGHQGDHWKEGRVLLHKSLKLYQVIFEGEIGKGNLGGIAVDDISINNHISQEDCAKPADLDKKNPEIKIDETGSTPGYEGEGEGDKNISRKPGNVLKTLDPILITIIAMSALGVLLGAVCGVVLYCACWHNGMSERNLSALENYNFELVDGVKLKKDKLNTQSTYSEA
  
Inhibitor
Name:
BDBM94087
Synonyms:
1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione | 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione | 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-quinone | MLS000758901 | SMR000440108 | cid_1942034
Type:
Small organic molecule
Emp. Form.:
C21H24FN3O2S
Mol. Mass.:
401.498
SMILES:
CN(C)CCn1c2sc3CCCCCc3c2c(=O)n(-c2ccc(F)cc2)c1=O
Structure:
Search PDB for entries with ligand similarity: