BDBM50071849 CHEMBL3410807

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NCCc1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=AWMDVTVHSSNVGB-KHFWCYFCSA-N

Data: 1 IC50

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 = 50071849   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50071849 (CHEMBL3410807) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NCCc1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H86N10O7/c1-38(65-9)56(75)71-54(63(3,4)5)61(80)73-36-45-33-46(30-29-44(45)34-52(73)59(78)69-50-23-15-19-41-17-11-13-21-48(41)50)68-58(77)43-27-25-40(26-28-43)31-32-67-47-35-53(60(79)70-51-24-16-20-42-18-12-14-22-49(42)51)74(37-47)62(81)55(64(6,7)8)72-57(76)39(2)66-10/h11-14,17-18,21-22,25-30,33,38-39,47,50-55,65-67H,15-16,19-20,23-24,31-32,34-37H2,1-10H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t38-,39-,47-,50+,51+,52-,53-,54+,55+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay				J Med Chem 58: 1556-62 (2015) Article DOI: 10.1021/jm501482t BindingDB Entry DOI: 10.7270/Q2N29ZM8
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