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BDBM50495465 CHEMBL3108817

SMILES: [H][C@@]12C[C@]1([H])N([C@@H](C2)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@]2([H])C[C@]2([H])N1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1

InChI Key: InChIKey=TXZDEORYKQDMGZ-UCCYDSEHSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50495465   
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))		BDBM50495465
PNG
(CHEMBL3108817)
Show SMILES [H][C@@]12C[C@]1([H])N([C@@H](C2)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1C[C@]2([H])C[C@]2([H])N1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r|
Show InChI InChI=1S/C60H78N8O8/c1-35(61-3)55(69)63-51(37-19-9-7-10-20-37)59(73)67-45-29-41(45)31-47(67)57(71)65-53-43-25-15-13-23-39(43)33-49(53)75-27-17-5-6-18-28-76-50-34-40-24-14-16-26-44(40)54(50)66-58(72)48-32-42-30-46(42)68(48)60(74)52(38-21-11-8-12-22-38)64-56(70)36(2)62-4/h13-16,23-26,35-38,41-42,45-54,61-62H,7-12,19-22,27-34H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72)/t35-,36-,41-,42-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.100n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA

J Med Chem 56: 9897-919 (2013)


Article DOI: 10.1021/jm401075x
BindingDB Entry DOI: 10.7270/Q23T9M6C
More data for this
Ligand-Target Pair