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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'cIAP2-BIR3' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cIAP2-BIR3


(Homo sapiens (human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
70 -40.4n/an/an/an/an/a7.222



Genentech



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


Citation and Details
More data for this
Ligand-Target Pair
cIAP2-BIR3


(Homo sapiens (human))
BDBM17345
PNG
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
130 -38.9n/an/an/an/an/a7.222



Genentech



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


Citation and Details
More data for this
Ligand-Target Pair
cIAP2-BIR3


(Homo sapiens (human))
BDBM17347
PNG
((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
490 -35.7n/an/an/an/an/a7.222



Genentech



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


Citation and Details
More data for this
Ligand-Target Pair