BindingDB logo
myBDB logout

BDBM50495452 CHEMBL3108822

SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1(Cc2ccccc2C1)C(=O)NCC#CC#CCNC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1

InChI Key: InChIKey=VWUMJOWDACLDES-PBUQQEINSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50495452   
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))		BDBM50495452
PNG
(CHEMBL3108822)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1(Cc2ccccc2C1)C(=O)NCC#CC#CCNC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r|
Show InChI InChI=1S/C60H80N10O8/c1-39(61-3)51(71)65-49(41-21-9-7-10-22-41)55(75)69-33-19-29-47(69)53(73)67-59(35-43-25-13-14-26-44(43)36-59)57(77)63-31-17-5-6-18-32-64-58(78)60(37-45-27-15-16-28-46(45)38-60)68-54(74)48-30-20-34-70(48)56(76)50(42-23-11-8-12-24-42)66-52(72)40(2)62-4/h13-16,25-28,39-42,47-50,61-62H,7-12,19-24,29-38H2,1-4H3,(H,63,77)(H,64,78)(H,65,71)(H,66,72)(H,67,73)(H,68,74)/t39-,40-,47-,48-,49-,50-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5n/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