Reaction Details Report a problem with these data
Target
Neuropilin-1
Ligand
BDBM50188990
Substrate
n/a
Meas. Tech.
ChEMBL_389196 (CHEMBL867991)
IC50
3000±n/a nM
Citation
 Bedjeguelal, K; Bienaymé, H; Dumoulin, A; Poigny, S; Schmitt, P; Tam, E Discovery of protein-protein binding disruptors using multi-component condensations small molecules. Bioorg Med Chem Lett 16:3998-4001 (2006) [PubMed]  Article 
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:
BDBM50188990
Synonyms:
5-chloro-2-(2-fluorophenyl)-3-(phenethylamino)indolizine-1-carbonitrile | CHEMBL438268
Type:
Small organic molecule
Emp. Form.:
C23H17ClFN3
Mol. Mass.:
389.853
SMILES:
Fc1ccccc1-c1c(NCCc2ccccc2)n2c(Cl)cccc2c1C#N |(25.38,-7.61,;26.16,-8.94,;27.69,-8.93,;28.47,-10.27,;27.7,-11.6,;26.16,-11.6,;25.4,-10.26,;23.86,-10.26,;22.96,-11.51,;23.43,-12.97,;24.94,-13.29,;25.41,-14.76,;26.92,-15.08,;27.39,-16.54,;28.9,-16.86,;29.93,-15.72,;29.45,-14.25,;27.94,-13.93,;21.49,-11.03,;20.16,-11.79,;20.16,-13.33,;18.83,-11.03,;18.83,-9.49,;20.16,-8.71,;21.49,-9.49,;22.96,-9.01,;23.43,-7.55,;23.91,-6.09,)|
Structure:
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