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BDBM50495453 CHEMBL3108919

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=YFOHWHMKGJZSID-PUGYGLGLSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50495453   
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))		BDBM50495453
PNG
(CHEMBL3108919)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C52H70N8O8S2/c1-31(53-9)45(61)57-43(51(3,4)5)49(65)59-29-69-27-37(59)47(63)55-41-35-21-15-13-19-33(35)25-39(41)67-23-17-11-12-18-24-68-40-26-34-20-14-16-22-36(34)42(40)56-48(64)38-28-70-30-60(38)50(66)44(52(6,7)8)58-46(62)32(2)54-10/h13-16,19-22,31-32,37-44,53-54H,23-30H2,1-10H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t31-,32-,37-,38-,39+,40+,41-,42-,43+,44+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.5n/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