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BDBM44296 (2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1,5-dioxopentyl]-N-(diphenylmethyl)-2-pyrrolidinecarboxamide;formic acid::(2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxopentanoyl]-N-benzhydrylpyrrolidine-2-carboxamide;formic acid::(2S)-1-[(2S)-5-amino-5-keto-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]-N-benzhydryl-pyrrolidine-2-carboxamide;formic acid::(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxidanylidene-pentanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide;methanoic acid::CHEMBL1617727::MLS-0391059.0001::cid_44182163

SMILES: CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=AFJAUVAOYWNIAX-NYVOZVTQSA-N

Data: 2 KI  2 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 4 hits for monomerid = 44296   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44296
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N5O4/c1-18(29-2)25(34)30-21(15-16-23(28)33)27(36)32-17-9-14-22(32)26(35)31-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,21-22,24,29H,9,14-17H2,1-2H3,(H2,28,33)(H,30,34)(H,31,35)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 4.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44296
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N5O4/c1-18(29-2)25(34)30-21(15-16-23(28)33)27(36)32-17-9-14-22(32)26(35)31-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,21-22,24,29H,9,14-17H2,1-2H3,(H2,28,33)(H,30,34)(H,31,35)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
650n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44296
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N5O4/c1-18(29-2)25(34)30-21(15-16-23(28)33)27(36)32-17-9-14-22(32)26(35)31-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,21-22,24,29H,9,14-17H2,1-2H3,(H2,28,33)(H,30,34)(H,31,35)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.33E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44296
PNG
((2S)-1-[(2S)-5-amino-2-[[(2S)-2-(methylamino)-1-ox...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N5O4/c1-18(29-2)25(34)30-21(15-16-23(28)33)27(36)32-17-9-14-22(32)26(35)31-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,21-22,24,29H,9,14-17H2,1-2H3,(H2,28,33)(H,30,34)(H,31,35)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair