BindingDB logo
myBDB logout

11 similar compounds to monomer 44353

Compile data set for download or QSAR
Wt: 391.5
BDBM44285
Wt: 363.4
BDBM44283
Wt: 448.5
BDBM44301
Wt: 377.4
BDBM44312
Wt: 375.4
BDBM44322
Wt: 420.5
BDBM44355
Wt: 363.4
BDBM44358
Wt: 389.4
BDBM44276
Wt: 406.5
BDBM44328
Wt: 349.4
BDBM44311
Wt: 448.5
BDBM50436898

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 44285,44283,44301,44312,44322,44355,44358,44276,44328,44311,50436898   
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))
BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
390n/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))
BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
390n/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))
BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.08E+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))
BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.08E+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))
BDBM44311
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.83E+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 (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))
BDBM44283
PNG
(CHEMBL1626340 | MLS-0391056.0001 | cid_44176334 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-11(2)15(21-16(24)12(3)19-5)18(26)20-13(4)17(25)23-22-14-9-7-6-8-10-14/h6-13,15,19,22H,1-5H3,(H,20,26)(H,21,24)(H,23,25)/t12-,13-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.29E+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 (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))
BDBM44285
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.04E+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 (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))
BDBM50436898
PNG
(CHEMBL1618558)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1
Show InChI InChI=1S/C21H36N8O3/c1-13(2)17(27-18(30)14(3)24-4)20(32)26-16(11-8-12-25-21(22)23)19(31)29-28-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,24,28H,8,11-12H2,1-4H3,(H,26,32)(H,27,30)(H,29,31)(H4,22,23,25)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.65E+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 (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))
BDBM44328
PNG
((2S)-N-[(1S)-4-amino-1-(anilinocarbamoyl)butyl]-3-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H34N6O3/c1-13(2)17(24-18(27)14(3)22-4)20(29)23-16(11-8-12-21)19(28)26-25-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,22,25H,8,11-12,21H2,1-4H3,(H,23,29)(H,24,27)(H,26,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.31E+4n/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))
BDBM50436898
PNG
(CHEMBL1618558)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1
Show InChI InChI=1S/C21H36N8O3/c1-13(2)17(27-18(30)14(3)24-4)20(32)26-16(11-8-12-25-21(22)23)19(31)29-28-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,24,28H,8,11-12H2,1-4H3,(H,26,32)(H,27,30)(H,29,31)(H4,22,23,25)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.12E+4n/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))
BDBM44328
PNG
((2S)-N-[(1S)-4-amino-1-(anilinocarbamoyl)butyl]-3-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H34N6O3/c1-13(2)17(24-18(27)14(3)22-4)20(29)23-16(11-8-12-21)19(28)26-25-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,22,25H,8,11-12,21H2,1-4H3,(H,23,29)(H,24,27)(H,26,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+4n/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))
BDBM44311
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.13E+4n/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))
BDBM44283
PNG
(CHEMBL1626340 | MLS-0391056.0001 | cid_44176334 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-11(2)15(21-16(24)12(3)19-5)18(26)20-13(4)17(25)23-22-14-9-7-6-8-10-14/h6-13,15,19,22H,1-5H3,(H,20,26)(H,21,24)(H,23,25)/t12-,13-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.18E+4n/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))
BDBM44285
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.56E+4n/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))
BDBM44312
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C19H31N5O3/c1-11(2)15(21-17(25)13(5)20)18(26)22-16(12(3)4)19(27)24-23-14-9-7-6-8-10-14/h6-13,15-16,23H,20H2,1-5H3,(H,21,25)(H,22,26)(H,24,27)/t13-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.51E+5n/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))
BDBM44322
PNG
(MLS-0412157.0001 | cid_44182231 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)NNc2ccccc2)C1=O
Show InChI InChI=1S/C19H29N5O3/c1-13(20-3)17(25)21-16-11-7-8-12-24(19(16)27)14(2)18(26)23-22-15-9-5-4-6-10-15/h4-6,9-10,13-14,16,20,22H,7-8,11-12H2,1-3H3,(H,21,25)(H,23,26)/t13-,14+,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.58E+5n/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))
BDBM44355
PNG
(MLS-0425211.0001 | cid_44229040 | formic acid;(4S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H32N6O4/c1-12(2)17(24-18(28)13(3)22-4)20(30)23-15(10-11-16(21)27)19(29)26-25-14-8-6-5-7-9-14/h5-9,12-13,15,17,22,25H,10-11H2,1-4H3,(H2,21,27)(H,23,30)(H,24,28)(H,26,29)/t13-,15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.82E+5n/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))
BDBM44311
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.06E+5n/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))
BDBM44301
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-buty...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1
Show InChI InChI=1S/C21H36N8O3/c1-13(2)17(27-18(30)14(3)24-4)20(32)26-16(11-8-12-25-21(22)23)19(31)29-28-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,24,28H,8,11-12H2,1-4H3,(H,26,32)(H,27,30)(H,29,31)(H4,22,23,25)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.42E+4n/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))
BDBM44285
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.68E+5n/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))
BDBM44283
PNG
(CHEMBL1626340 | MLS-0391056.0001 | cid_44176334 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-11(2)15(21-16(24)12(3)19-5)18(26)20-13(4)17(25)23-22-14-9-7-6-8-10-14/h6-13,15,19,22H,1-5H3,(H,20,26)(H,21,24)(H,23,25)/t12-,13-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.33E+5n/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))
BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44358
PNG
((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-5-14(19)17(25)21-15(11(2)3)18(26)20-12(4)16(24)23-22-13-9-7-6-8-10-13/h6-12,14-15,22H,5,19H2,1-4H3,(H,20,26)(H,21,25)(H,23,24)/t12-,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44355
PNG
(MLS-0425211.0001 | cid_44229040 | formic acid;(4S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H32N6O4/c1-12(2)17(24-18(28)13(3)22-4)20(30)23-15(10-11-16(21)27)19(29)26-25-14-8-6-5-7-9-14/h5-9,12-13,15,17,22,25H,10-11H2,1-4H3,(H2,21,27)(H,23,30)(H,24,28)(H,26,29)/t13-,15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.35E+4n/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))
BDBM44328
PNG
((2S)-N-[(1S)-4-amino-1-(anilinocarbamoyl)butyl]-3-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H34N6O3/c1-13(2)17(24-18(27)14(3)22-4)20(29)23-16(11-8-12-21)19(28)26-25-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,22,25H,8,11-12,21H2,1-4H3,(H,23,29)(H,24,27)(H,26,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.03E+4n/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))
BDBM44322
PNG
(MLS-0412157.0001 | cid_44182231 | formic acid;(2S)...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)NNc2ccccc2)C1=O
Show InChI InChI=1S/C19H29N5O3/c1-13(20-3)17(25)21-16-11-7-8-12-24(19(16)27)14(2)18(26)23-22-15-9-5-4-6-10-15/h4-6,9-10,13-14,16,20,22H,7-8,11-12H2,1-3H3,(H,21,25)(H,23,26)/t13-,14+,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.81E+4n/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))
BDBM44312
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C19H31N5O3/c1-11(2)15(21-17(25)13(5)20)18(26)22-16(12(3)4)19(27)24-23-14-9-7-6-8-10-14/h6-13,15-16,23H,20H2,1-5H3,(H,21,25)(H,22,26)(H,24,27)/t13-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
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))
BDBM44311
PNG
((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 3.30E+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))
BDBM44301
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-buty...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NNc1ccccc1
Show InChI InChI=1S/C21H36N8O3/c1-13(2)17(27-18(30)14(3)24-4)20(32)26-16(11-8-12-25-21(22)23)19(31)29-28-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,24,28H,8,11-12H2,1-4H3,(H,26,32)(H,27,30)(H,29,31)(H4,22,23,25)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.10E+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))
BDBM44285
PNG
((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.00E+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/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44276
PNG
((2S)-N-[(1S)-1-[(2S)-2-(anilinocarbamoyl)pyrrolidi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)17(22-18(26)14(3)21-4)20(28)25-12-8-11-16(25)19(27)24-23-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,21,23H,8,11-12H2,1-4H3,(H,22,26)(H,24,27)/t14-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.30E+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))
BDBM44283
PNG
(CHEMBL1626340 | MLS-0391056.0001 | cid_44176334 | ...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
Show InChI InChI=1S/C18H29N5O3/c1-11(2)15(21-16(24)12(3)19-5)18(26)20-13(4)17(25)23-22-14-9-7-6-8-10-14/h6-13,15,19,22H,1-5H3,(H,20,26)(H,21,24)(H,23,25)/t12-,13-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.70E+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