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BDBM50495449 CHEMBL3108824

SMILES: CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1

InChI Key: InChIKey=YBAFWCPACTWOJZ-DEIQMJFBSA-N

Data: 1 EC50

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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 = 50495449   
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))		BDBM50495449
PNG
(CHEMBL3108824)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r|
Show InChI InChI=1S/C66H84N10O8/c1-39(67-3)59(77)71-55(43-17-7-5-8-18-43)65(83)75-35-15-25-53(75)63(81)73-57-49-23-13-11-21-47(49)37-51(57)69-61(79)45-31-27-41(28-32-45)42-29-33-46(34-30-42)62(80)70-52-38-48-22-12-14-24-50(48)58(52)74-64(82)54-26-16-36-76(54)66(84)56(44-19-9-6-10-20-44)72-60(78)40(2)68-4/h11-14,21-24,27-34,39-40,43-44,51-58,67-68H,5-10,15-20,25-26,35-38H2,1-4H3,(H,69,79)(H,70,80)(H,71,77)(H,72,78)(H,73,81)(H,74,82)/t39-,40-,51+,52+,53-,54-,55-,56-,57-,58-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15n/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