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BDBM44333 CHEMBL1618706::MLS-0391029.0001::cid_44182259::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(2-methyl-4-quinolinyl)-2-pyrrolidinecarboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-methyl-4-quinolyl)pyrrolidine-2-carboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-methylquinolin-4-yl)pyrrolidine-2-carboxamide::methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(2-methylquinolin-4-yl)pyrrolidine-2-carboxamide

SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12

InChI Key: InChIKey=ANLBXRHYLFQYEM-NDXORKPFSA-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 = 44333   
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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.29E+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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.50E+3n/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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 2.90E+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))
BDBM44333
PNG
(CHEMBL1618706 | MLS-0391029.0001 | cid_44182259 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
Show InChI InChI=1S/C24H33N5O3/c1-14(2)21(28-22(30)16(4)25-5)24(32)29-12-8-11-20(29)23(31)27-19-13-15(3)26-18-10-7-6-9-17(18)19/h6-7,9-10,13-14,16,20-21,25H,8,11-12H2,1-5H3,(H,28,30)(H,26,27,31)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 4.00E+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