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BDBM50240588 CHEMBL4079500

SMILES: [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CCCCCCCCCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=YALDJLQKTJMMHH-ZSOGPSSESA-N

Data: 1 IC50

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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 = 50240588   
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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM50240588
PNG
(CHEMBL4079500)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CC)NC)[C@@H](CNC(=O)CCCCCCCCCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC2)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C54H73N9O5/c1-3-46(55-2)52(66)61-51-42(29-30-45-31-32-47(63(45)54(51)68)53(67)60-50(40-22-12-10-13-23-40)41-24-14-11-15-25-41)36-59-48(64)28-16-8-6-4-5-7-9-19-35-58-49(65)39-62(37-43-26-17-20-33-56-43)38-44-27-18-21-34-57-44/h10-15,17-18,20-27,33-34,42,45-47,50-51,55H,3-9,16,19,28-32,35-39H2,1-2H3,(H,58,65)(H,59,64)(H,60,67)(H,61,66)/t42-,45+,46+,47+,51+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Istituto di Scienze e Tecnologie Molecolari (ISTM)

Curated by ChEMBL


Assay Description
Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residu...

Bioorg Med Chem Lett 27: 2336-2344 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.032
BindingDB Entry DOI: 10.7270/Q2GH9M3B
More data for this
Ligand-Target Pair