BindingDB logo
myBDB logout

3 similar compounds to monomer 27918

Compile data set for download or QSAR
Wt: 492.6
BDBM27940		Wt: 502.6
BDBM50001102		Wt: 518.6
BDBM50388968

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 27940,50001102,50388968   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Max-like protein X


(Homo sapiens (Human))		BDBM50388968
PNG
(CHEMBL2063866)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H42N4O3/c1-22(32-2)29(36)34-28(25-17-10-5-11-18-25)31(38)35-20-12-19-27(35)30(37)33-21-26(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-4,6-9,13-16,22,25-28,32H,5,10-12,17-21H2,1-2H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay

J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))		BDBM27940
PNG
((2S)-N-[(2S)-1-[(2S)-2-[(1,1-diphenylacetamido)met...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H40N4O3/c1-20(30-5)26(34)32-25(29(2,3)4)28(36)33-18-12-17-23(33)19-31-27(35)24(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23-25,30H,12,17-19H2,1-5H3,(H,31,35)(H,32,34)/t20-,23-,25+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars
Article
PubMed
 290 -8.82n/an/an/an/an/a7.222



Genentech Inc



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...

J Med Chem 52: 1723-30 (2009)


Article DOI: 10.1021/jm801450c
BindingDB Entry DOI: 10.7270/Q2WH2N9H
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))		BDBM50388968
PNG
(CHEMBL2063866)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H42N4O3/c1-22(32-2)29(36)34-28(25-17-10-5-11-18-25)31(38)35-20-12-19-27(35)30(37)33-21-26(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-4,6-9,13-16,22,25-28,32H,5,10-12,17-21H2,1-2H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 410n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay

J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))		BDBM27940
PNG
((2S)-N-[(2S)-1-[(2S)-2-[(1,1-diphenylacetamido)met...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H40N4O3/c1-20(30-5)26(34)32-25(29(2,3)4)28(36)33-18-12-17-23(33)19-31-27(35)24(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23-25,30H,12,17-19H2,1-5H3,(H,31,35)(H,32,34)/t20-,23-,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.00E+3n/an/an/an/an/an/an/an/a



Genentech Inc



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...

J Med Chem 52: 1723-30 (2009)


Article DOI: 10.1021/jm801450c
BindingDB Entry DOI: 10.7270/Q2WH2N9H
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))		BDBM50001102
PNG
(CHEMBL3236382)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@H]3N2C1=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H38N4O3/c1-20(31-2)28(35)32-25-15-9-14-24-18-23-16-17-33(19-26(23)34(24)29(25)36)30(37)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,31H,9,14-19H2,1-2H3,(H,32,35)/t20-,23+,24-,25-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay

Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))		BDBM50001102
PNG
(CHEMBL3236382)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@H]3N2C1=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H38N4O3/c1-20(31-2)28(35)32-25-15-9-14-24-18-23-16-17-33(19-26(23)34(24)29(25)36)30(37)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,31H,9,14-19H2,1-2H3,(H,32,35)/t20-,23+,24-,25-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay

Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair