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Compile Data Set for Download or QSAR

Found 5 hits of Enz. Inhib. data with enzyme = 'cIAP-2 BIR3' and Substrate = 'BDBM17342'   
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
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32578
PNG
(CS-1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C28H40N6O3/c1-18-15-16-33(28(37)24(21-11-7-5-8-12-21)31-26(35)20(3)29-4)25(18)27(36)30-23-17-19(2)32-34(23)22-13-9-6-10-14-22/h6,9-10,13-14,17-18,20-21,24-25,29H,5,7-8,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)/t18-,20-,24-,25-/m0/s1
B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
52 -9.83n/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...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32580
PNG
(CS-3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1
Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1
B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
85 -9.54n/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...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32576
PNG
(PS-1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m0/s1
B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
96 -9.47n/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...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32579
PNG
(CS-2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1
Show InChI InChI=1S/C27H36N6O3/c1-18(28-2)25(34)32-23(19-10-4-3-5-11-19)27(36)33-17-8-14-22(33)26(35)31-21-13-7-6-12-20(21)24-29-15-9-16-30-24/h6-7,9,12-13,15-16,18-19,22-23,28H,3-5,8,10-11,14,17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23-/m0/s1
B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
114 -9.37n/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...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair
cIAP-2 BIR3


(Homo sapiens (human))
BDBM32577
PNG
(ent-PS-1)
Show SMILES CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m1/s1
B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.40E+4>-6.03n/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...


ACS Chem Biol 4: 557-66 (2009)


Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q
More data for this
Ligand-Target Pair