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SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccccc1

InChI Key: InChIKey=LGAPOOHXNBODQQ-QGZVFWFLSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50458759   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bone morphogenetic protein 1


(Homo sapiens (Human))		BDBM50458759
PNG
(CHEMBL4202420)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H27N3O5/c1-2-3-5-10-17(13-24(28)15-25)20(26)22-14-23-21(27)19-12-11-18(29-19)16-8-6-4-7-9-16/h4,6-9,11-12,15,17,28H,2-3,5,10,13-14H2,1H3,(H,22,26)(H,23,27)/t17-/m1/s1
PDB
MMDB

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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5...

ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair