Target
Neuropilin-1
Ligand
BDBM94182
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:
BDBM94182
Synonyms:
(3S,4aS)-3-[2-(1-adamantylmethylamino)-2-keto-ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-2-keto-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylic acid ethyl ester | (3S,4aS)-3-[2-(1-adamantylmethylamino)-2-oxoethyl]-1-[2-(1-cyclohexenyl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylic acid ethyl ester | MLS003674785 | SMR002354081 | cid_53383841 | ethyl (3S,4aS)-3-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-2-oxidanylidene-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate | ethyl (3S,4aS)-3-[2-(1-adamantylmethylamino)-2-oxoethyl]-1-[2-(cyclohexen-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate
Type:
Small organic molecule
Emp. Form.:
C33H48N2O4
Mol. Mass.:
536.7452
SMILES:
[H]C12CC3([H])CC([H])(C1)CC(CNC(=O)C[C@@H]1C[C@]4(CCCC=C4N(CCC4=CCCCC4)C1=O)C(=O)OCC)(C2)C3 |c:23,t:29,TLB:8:6:41:1.40.2,5:3:40:6.9.8,THB:5:6:40:3.41.2|
Structure:
Search PDB for entries with ligand similarity: