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BDBM44295 CHEMBL1624713::MLS-0390969.0002::cid_44182162::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(1-naphthalenyl)-2-pyrrolidinecarboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(1-naphthyl)pyrrolidine-2-carboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-1-ylpyrrolidine-2-carboxamide::methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-1-yl-pyrrolidine-2-carboxamide

SMILES: CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=FLKHNUHOOQHJNR-NDXORKPFSA-N

Data: 4 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 6 hits for monomerid = 44295   
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))
BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
440n/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))
BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
440n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.51E+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 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 4253-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.096
BindingDB Entry DOI: 10.7270/Q2BC40ZK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.51E+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))
BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
PDB

KEGG

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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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44295
PNG
(CHEMBL1624713 | MLS-0390969.0002 | cid_44182162 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20-21,25H,8,13-14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 1.40E+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