BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 446 hits of ic50 data for polymerid = 10395,403   
Target/Host
(Institution)
LigandTarget/Host
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
XIAP protein BIR2


(Artificial Sequence)
BDBM240885
PNG
(US9409888, 9)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3cc(ccc3c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C62H58Br2N8O8/c1-35(65-3)57(73)67-49-33-71(53-13-9-7-11-51(53)69(61(49)77)31-47-45-23-21-43(63)29-39(45)19-25-55(47)79-5)59(75)41-17-15-38-28-42(18-16-37(38)27-41)60(76)72-34-50(68-58(74)36(2)66-4)62(78)70(52-12-8-10-14-54(52)72)32-48-46-24-22-44(64)30-40(46)20-26-56(48)80-6/h7-30,35-36,49-50,65-66H,31-34H2,1-6H3,(H,67,73)(H,68,74)/t35-,36-,49-,50-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<0.0510n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240879
PNG
(US9409888, 28)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-13-9-7-11-47(49)65(57(45)73)29-43-41-23-21-39(59)27-37(41)19-25-51(43)75-5)55(71)35-15-17-36(18-16-35)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-12-8-10-14-50(48)68)30-44-42-24-22-40(60)28-38(42)20-26-52(44)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.289n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240895
PNG
(US9409888, 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C57H62Br2N8O8/c1-34(60-3)54(70)62-44-32-64(46-14-10-12-16-48(46)66(56(44)72)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-5)52(68)18-8-7-9-19-53(69)65-33-45(63-55(71)35(2)61-4)57(73)67(49-17-13-11-15-47(49)65)31-43-41-25-23-39(59)29-37(41)21-27-51(43)75-6/h10-17,20-29,34-35,44-45,60-61H,7-9,18-19,30-33H2,1-6H3,(H,62,70)(H,63,71)/t34-,35-,44-,45-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.307n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240884
PNG
(US9409888, 22)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4c(Br)cccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
Show InChI InChI=1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-19-9-7-17-47(49)65(57(45)73)29-41-37-13-11-15-43(59)39(37)25-27-51(41)75-5)55(71)35-21-23-36(24-22-35)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-18-8-10-20-50(48)68)30-42-38-14-12-16-44(60)40(38)26-28-52(42)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.320n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240892
PNG
(US9409888, 19)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnc(cn2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C56H54Br2N10O8/c1-31(59-3)51(69)63-43-29-67(47-13-9-7-11-45(47)65(55(43)73)27-39-37-19-17-35(57)23-33(37)15-21-49(39)75-5)53(71)41-25-62-42(26-61-41)54(72)68-30-44(64-52(70)32(2)60-4)56(74)66(46-12-8-10-14-48(46)68)28-40-38-20-18-36(58)24-34(38)16-22-50(40)76-6/h7-26,31-32,43-44,59-60H,27-30H2,1-6H3,(H,63,69)(H,64,70)/t31-,32-,43-,44-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.325n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240889
PNG
(US9409888, 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C56H60Br2N8O8/c1-33(59-3)53(69)61-43-31-63(45-13-7-9-15-47(45)65(55(43)71)29-41-39-23-21-37(57)27-35(39)19-25-49(41)73-5)51(67)17-11-12-18-52(68)64-32-44(62-54(70)34(2)60-4)56(72)66(48-16-10-8-14-46(48)64)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-6/h7-10,13-16,19-28,33-34,43-44,59-60H,11-12,17-18,29-32H2,1-6H3,(H,61,69)(H,62,70)/t33-,34-,43-,44-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.375n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240883
PNG
(US9409888, 23)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(C)ccc4ccccc34)c3ccccc23)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
Show InChI InChI=1S/C58H58N8O6/c1-35-23-25-39-15-7-9-17-43(39)45(35)31-63-49-19-11-13-21-51(49)65(33-47(57(63)71)61-53(67)37(3)59-5)55(69)41-27-29-42(30-28-41)56(70)66-34-48(62-54(68)38(4)60-6)58(72)64(50-20-12-14-22-52(50)66)32-46-36(2)24-26-40-16-8-10-18-44(40)46/h7-30,37-38,47-48,59-60H,31-34H2,1-6H3,(H,61,67)(H,62,68)/t37-,38-,47-,48-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.429n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240900
PNG
(US9409888, 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C58H58N8O8/c1-35(59-3)53(67)61-45-33-65(49-21-13-11-19-47(49)63(57(45)71)31-43-41-17-9-7-15-37(41)27-29-51(43)73-5)55(69)39-23-25-40(26-24-39)56(70)66-34-46(62-54(68)36(2)60-4)58(72)64(48-20-12-14-22-50(48)66)32-44-42-18-10-8-16-38(42)28-30-52(44)74-6/h7-30,35-36,45-46,59-60H,31-34H2,1-6H3,(H,61,67)(H,62,68)/t35-,36-,45-,46-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.452n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240902
PNG
(US9409888, 13)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(C)c(cc2C)C(=O)N2C[C@H](NC(=O)[C@H](C)N)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C59H58Br2N8O8/c1-32-25-43(57(73)69-31-47(65-55(71)35(4)63-5)59(75)67(49-13-9-11-15-51(49)69)29-45-41-21-19-39(61)27-37(41)17-23-53(45)77-7)33(2)24-42(32)56(72)68-30-46(64-54(70)34(3)62)58(74)66(48-12-8-10-14-50(48)68)28-44-40-20-18-38(60)26-36(40)16-22-52(44)76-6/h8-27,34-35,46-47,63H,28-31,62H2,1-7H3,(H,64,70)(H,65,71)/t34-,35-,46-,47-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.801n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240893
PNG
(US9409888, 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(C)ccc4ccccc34)c3ccc(cc23)C#N)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N
Show InChI InChI=1S/C60H56N10O6/c1-35-15-19-41-11-7-9-13-45(41)47(35)31-67-51-25-17-39(29-61)27-53(51)69(33-49(59(67)75)65-55(71)37(3)63-5)57(73)43-21-23-44(24-22-43)58(74)70-34-50(66-56(72)38(4)64-6)60(76)68(52-26-18-40(30-62)28-54(52)70)32-48-36(2)16-20-42-12-8-10-14-46(42)48/h7-28,37-38,49-50,63-64H,31-34H2,1-6H3,(H,65,71)(H,66,72)/t37-,38-,49-,50-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.815n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240896
PNG
(US9409888, 7)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(n2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C57H55Br2N9O8/c1-32(60-3)52(69)63-44-30-67(48-16-9-7-14-46(48)65(56(44)73)28-40-38-22-20-36(58)26-34(38)18-24-50(40)75-5)54(71)42-12-11-13-43(62-42)55(72)68-31-45(64-53(70)33(2)61-4)57(74)66(47-15-8-10-17-49(47)68)29-41-39-23-21-37(59)27-35(39)19-25-51(41)76-6/h7-27,32-33,44-45,60-61H,28-31H2,1-6H3,(H,63,69)(H,64,70)/t32-,33-,44-,45-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240897
PNG
(US9409888, 18)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C58H64Br2N8O8/c1-35(61-3)55(71)63-45-33-65(47-15-11-13-17-49(47)67(57(45)73)31-43-41-25-23-39(59)29-37(41)21-27-51(43)75-5)53(69)19-9-7-8-10-20-54(70)66-34-46(64-56(72)36(2)62-4)58(74)68(50-18-14-12-16-48(50)66)32-44-42-26-24-40(60)30-38(42)22-28-52(44)76-6/h11-18,21-30,35-36,45-46,61-62H,7-10,19-20,31-34H2,1-6H3,(H,63,71)(H,64,72)/t35-,36-,45-,46-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.872n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240903
PNG
(US9409888, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-16-9-7-14-47(49)65(57(45)73)29-43-41-22-20-39(59)27-35(41)18-24-51(43)75-5)55(71)37-12-11-13-38(26-37)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-15-8-10-17-50(48)68)30-44-42-23-21-40(60)28-36(42)19-25-52(44)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.899n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM243099
PNG
((S)—N—((S)-5-(4-Acetylbenzoyl)-1-((6-bro...)
Show SMILES CCC(NC)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C35H35BrN4O5/c1-5-28(37-3)33(42)38-29-20-40(34(43)23-12-10-22(11-13-23)21(2)41)31-9-7-6-8-30(31)39(35(29)44)19-27-26-16-15-25(36)18-24(26)14-17-32(27)45-4/h6-18,28-29,37H,5,19-20H2,1-4H3,(H,38,42)/t28?,29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240888
PNG
(US9409888, 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C54H56Br2N8O8/c1-31(57-3)51(67)59-41-29-61(43-11-7-9-13-45(43)63(53(41)69)27-39-37-19-17-35(55)25-33(37)15-21-47(39)71-5)49(65)23-24-50(66)62-30-42(60-52(68)32(2)58-4)54(70)64(46-14-10-8-12-44(46)62)28-40-38-20-18-36(56)26-34(38)16-22-48(40)72-6/h7-22,25-26,31-32,41-42,57-58H,23-24,27-30H2,1-6H3,(H,59,67)(H,60,68)/t31-,32-,41-,42-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240905
PNG
(US9409888, 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccc(cc23)C#N)c2cc(ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C#N
Show InChI InChI=1S/C60H54Br2N10O8/c1-33(65-3)55(73)67-47-31-71(51-23-35(27-63)7-19-49(51)69(59(47)77)29-45-43-17-15-41(61)25-39(43)13-21-53(45)79-5)57(75)37-9-11-38(12-10-37)58(76)72-32-48(68-56(74)34(2)66-4)60(78)70(50-20-8-36(28-64)24-52(50)72)30-46-44-18-16-42(62)26-40(44)14-22-54(46)80-6/h7-26,33-34,47-48,65-66H,29-32H2,1-6H3,(H,67,73)(H,68,74)/t33-,34-,47-,48-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.17n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240899
PNG
(US9409888, 11)
Show SMILES CN[C@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(Oc3ccc(cc3)C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc34)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C64H60Br2N8O9/c1-37(67-3)59(75)69-51-35-73(55-13-9-7-11-53(55)71(63(51)79)33-49-47-27-21-43(65)31-41(47)19-29-57(49)81-5)61(77)39-15-23-45(24-16-39)83-46-25-17-40(18-26-46)62(78)74-36-52(70-60(76)38(2)68-4)64(80)72(54-12-8-10-14-56(54)74)34-50-48-28-22-44(66)32-42(48)20-30-58(50)82-6/h7-32,37-38,51-52,67-68H,33-36H2,1-6H3,(H,69,75)(H,70,76)/t37-,38+,51-,52-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240898
PNG
(US9409888, 20)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3ccc(cc3c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C62H58Br2N8O8/c1-35(65-3)57(73)67-49-33-71(53-13-9-7-11-51(53)69(61(49)77)31-47-45-23-21-43(63)29-38(45)19-25-55(47)79-5)59(75)40-17-15-37-16-18-41(28-42(37)27-40)60(76)72-34-50(68-58(74)36(2)66-4)62(78)70(52-12-8-10-14-54(52)72)32-48-46-24-22-44(64)30-39(46)20-26-56(48)80-6/h7-30,35-36,49-50,65-66H,31-34H2,1-6H3,(H,67,73)(H,68,74)/t35-,36-,49-,50-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.23n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240881
PNG
(US9409888, 1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCc1ccccc1)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12
Show InChI InChI=1S/C57H66BrN9O8/c1-34(59-3)51(68)63-45-33-67(47-19-13-12-18-46(47)66(56(45)73)32-44-43-26-25-41(58)28-40(43)24-27-49(44)75-5)55(72)39-22-20-38(21-23-39)53(70)62-42-29-48(54(71)61-30-36-14-8-6-9-15-36)65(31-42)57(74)50(37-16-10-7-11-17-37)64-52(69)35(2)60-4/h6,8-9,12-15,18-28,34-35,37,42,45,48,50,59-60H,7,10-11,16-17,29-33H2,1-5H3,(H,61,71)(H,62,70)(H,63,68)(H,64,69)/t34-,35+,42-,45+,48-,50+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240904
PNG
(US9409888, 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cncc(c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C57H55Br2N9O8/c1-32(60-3)52(69)63-44-30-67(48-13-9-7-11-46(48)65(56(44)73)28-42-40-19-17-38(58)24-34(40)15-21-50(42)75-5)54(71)36-23-37(27-62-26-36)55(72)68-31-45(64-53(70)33(2)61-4)57(74)66(47-12-8-10-14-49(47)68)29-43-41-20-18-39(59)25-35(41)16-22-51(43)76-6/h7-27,32-33,44-45,60-61H,28-31H2,1-6H3,(H,63,69)(H,64,70)/t32-,33-,44-,45-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.32n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240901
PNG
(US9409888, 10)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc34)c(C)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C59H58Br2N8O8/c1-33-26-38(56(72)68-31-46(64-54(70)34(2)62-4)58(74)66(48-12-8-10-14-50(48)68)29-44-42-22-19-39(60)27-36(42)17-24-52(44)76-6)16-21-41(33)57(73)69-32-47(65-55(71)35(3)63-5)59(75)67(49-13-9-11-15-51(49)69)30-45-43-23-20-40(61)28-37(43)18-25-53(45)77-7/h8-28,34-35,46-47,62-63H,29-32H2,1-7H3,(H,64,70)(H,65,71)/t34-,35-,46-,47-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.38n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240894
PNG
(US9409888, 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C53H54Br2N8O8/c1-30(56-3)50(66)58-40-28-60(42-11-7-9-13-44(42)62(52(40)68)26-38-36-19-17-34(54)23-32(36)15-21-46(38)70-5)48(64)25-49(65)61-29-41(59-51(67)31(2)57-4)53(69)63(45-14-10-8-12-43(45)61)27-39-37-20-18-35(55)24-33(37)16-22-47(39)71-6/h7-24,30-31,40-41,56-57H,25-29H2,1-6H3,(H,58,66)(H,59,67)/t30-,31-,40-,41-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.43n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240890
PNG
(US9409888, 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3nn(-c4ccccc4C#N)c4ccccc34)c3ccccc23)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
Show InChI InChI=1S/C64H56N14O6/c1-39(67-3)59(79)69-49-37-73(55-25-13-15-27-57(55)75(63(49)83)35-47-45-19-7-11-23-53(45)77(71-47)51-21-9-5-17-43(51)33-65)61(81)41-29-31-42(32-30-41)62(82)74-38-50(70-60(80)40(2)68-4)64(84)76(58-28-16-14-26-56(58)74)36-48-46-20-8-12-24-54(46)78(72-48)52-22-10-6-18-44(52)34-66/h5-32,39-40,49-50,67-68H,35-38H2,1-4H3,(H,69,79)(H,70,80)/t39-,40-,49-,50-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240882
PNG
(US9409888, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12
Show InChI InChI=1S/C60H70BrN9O8/c1-35(62-3)54(71)66-48-34-70(50-21-12-11-20-49(50)69(59(48)76)33-46-44-28-27-42(61)30-41(44)26-29-52(46)78-5)58(75)40-24-22-39(23-25-40)56(73)64-43-31-51(57(74)65-47-19-13-17-37-14-9-10-18-45(37)47)68(32-43)60(77)53(38-15-7-6-8-16-38)67-55(72)36(2)63-4/h9-12,14,18,20-30,35-36,38,43,47-48,51,53,62-63H,6-8,13,15-17,19,31-34H2,1-5H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t35-,36-,43-,47-,48-,51-,53-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.71n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240887
PNG
(US9409888, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)NC(C)C)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12
Show InChI InChI=1S/C53H66BrN9O8/c1-30(2)57-50(67)44-26-38(27-61(44)53(70)46(33-13-9-8-10-14-33)60-48(65)32(4)56-6)58-49(66)34-17-19-35(20-18-34)51(68)63-29-41(59-47(64)31(3)55-5)52(69)62(42-15-11-12-16-43(42)63)28-40-39-23-22-37(54)25-36(39)21-24-45(40)71-7/h11-12,15-25,30-33,38,41,44,46,55-56H,8-10,13-14,26-29H2,1-7H3,(H,57,67)(H,58,66)(H,59,64)(H,60,65)/t31-,32-,38-,41-,44-,46-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.98n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240880
PNG
(US9409888, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12
Show InChI InChI=1S/C60H70BrN9O8/c1-35(62-3)54(71)66-48-34-70(50-21-12-11-20-49(50)69(59(48)76)33-46-44-28-27-42(61)30-41(44)26-29-52(46)78-5)58(75)40-24-22-39(23-25-40)56(73)64-43-31-51(57(74)65-47-19-13-17-37-14-9-10-18-45(37)47)68(32-43)60(77)53(38-15-7-6-8-16-38)67-55(72)36(2)63-4/h9-12,14,18,20-30,35-36,38,43,47-48,51,53,62-63H,6-8,13,15-17,19,31-34H2,1-5H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t35-,36-,43-,47+,48-,51-,53-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.11n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM240886
PNG
(US9409888, 4)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCCC1)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12
Show InChI InChI=1S/C56H70BrN9O8/c1-33(58-3)50(67)62-44-32-66(46-19-13-12-18-45(46)65(55(44)72)31-43-42-26-25-39(57)28-38(42)24-27-48(43)74-5)54(71)37-22-20-36(21-23-37)52(69)61-41-29-47(53(70)60-40-16-10-7-11-17-40)64(30-41)56(73)49(35-14-8-6-9-15-35)63-51(68)34(2)59-4/h12-13,18-28,33-35,40-41,44,47,49,58-59H,6-11,14-17,29-32H2,1-5H3,(H,60,70)(H,61,69)(H,62,67)(H,63,68)/t33-,34-,41-,44-,47-,49-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.58n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US9409888 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D4N
More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242611
PNG
((2S)-N-(1-((6-bromo-2- methoxynaphthalen-1-yl)meth...)
Show SMILES CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O
Show InChI InChI=1S/C31H29BrN4O4/c1-19(33-2)29(37)34-28-30(38)35(18-24-23-15-14-21(32)17-20(23)13-16-27(24)40-3)25-11-7-8-12-26(25)36(31(28)39)22-9-5-4-6-10-22/h4-17,19,28,33H,18H2,1-3H3,(H,34,37)/t19-,28?/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.99n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM243177
PNG
(US10053431, 75c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccno2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C29H28BrN5O5/c1-17(31-2)27(36)33-22-16-35(29(38)26-12-13-32-40-26)24-7-5-4-6-23(24)34(28(22)37)15-21-20-10-9-19(30)14-18(20)8-11-25(21)39-3/h4-14,17,22,31H,15-16H2,1-3H3,(H,33,36)/t17-,22-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM243181
PNG
(US10053431, 76d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C34H34BrN5O5/c1-20(36-3)32(42)38-28-19-40(33(43)22-9-13-25(14-10-22)37-21(2)41)30-8-6-5-7-29(30)39(34(28)44)18-27-26-15-12-24(35)17-23(26)11-16-31(27)45-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)(H,38,42)/t20-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441819
PNG
(CHEMBL2436209 | US10053431, 89b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H30BrN5O4/c1-19(33-2)29(38)35-25-18-37(30(39)21-7-6-14-34-16-21)27-9-5-4-8-26(27)36(31(25)40)17-24-23-12-11-22(32)15-20(23)10-13-28(24)41-3/h4-16,19,25,33H,17-18H2,1-3H3,(H,35,38)/t19-,25-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM242836
PNG
(US9422332, 21)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C28H32N4O3/c1-17(2)24(31-26(33)18(3)29-4)28(35)32-16-20-11-6-8-14-22(20)25(32)27(34)30-23-15-9-12-19-10-5-7-13-21(19)23/h5-15,17-18,24-25,29H,16H2,1-4H3,(H,30,34)(H,31,33)/t18-,24-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.537



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...


US Patent US9422332 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NJK
More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242641
PNG
((S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N
Show InChI InChI=1S/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-10-7-21(16-36)8-11-23)30-15-22(17-37)9-13-29(30)40(34(28)44)18-26-24-5-4-6-27(35)25(24)12-14-31(26)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.11n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242603
PNG
((S)-N-((S)-5-(4-aminobenzoyl)-1-((6- bromo-2-metho...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H31BrClN5O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-4-9-23(35)10-5-19)28-15-22(34)8-12-27(28)38(32(26)42)16-25-24-11-7-21(33)14-20(24)6-13-29(25)43-3/h4-15,18,26,36H,16-17,35H2,1-3H3,(H,37,40)/t18-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.68n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242682
PNG
((S)—N—((S)-1-((5-Bromo-2-methoxynaphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
Show InChI InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)22-13-11-21(17-35)12-14-22)29-10-5-4-9-28(29)38(33(27)42)18-25-23-7-6-8-26(34)24(23)15-16-30(25)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM243119
PNG
(US10053431, 89a)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H30BrN5O4/c1-19(33-2)29(38)35-25-18-37(30(39)24-8-6-7-15-34-24)27-10-5-4-9-26(27)36(31(25)40)17-23-22-13-12-21(32)16-20(22)11-14-28(23)41-3/h4-16,19,25,33H,17-18H2,1-3H3,(H,35,38)/t19-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441816
PNG
(CHEMBL2436208 | US10053431, 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
Show InChI InChI=1S/C32H33N5O4/c1-20(34-2)30(38)35-26-19-37(31(39)22-12-15-23(33)16-13-22)28-11-7-6-10-27(28)36(32(26)40)18-25-24-9-5-4-8-21(24)14-17-29(25)41-3/h4-17,20,26,34H,18-19,33H2,1-3H3,(H,35,38)/t20-,26-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BIR2


(Homo sapiens (Human))
BDBM242606
PNG
((S)—N—((S)-5-(4-aminobenzoyl)-1-((6-brom...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H32BrN5O4/c1-19(35-2)30(39)36-26-18-38(31(40)20-8-12-23(34)13-9-20)28-7-5-4-6-27(28)37(32(26)41)17-25-24-14-11-22(33)16-21(24)10-15-29(25)42-3/h4-16,19,26,35H,17-18,34H2,1-3H3,(H,36,39)/t19-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441834
PNG
(CHEMBL2436330 | US10053431, 91a)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H31BrN4O4/c1-20(34-2)30(38)35-26-19-37(31(39)21-9-5-4-6-10-21)28-12-8-7-11-27(28)36(32(26)40)18-25-24-15-14-23(33)17-22(24)13-16-29(25)41-3/h4-17,20,26,34H,18-19H2,1-3H3,(H,35,38)/t20-,26-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441833
PNG
(CHEMBL2436334 | US10053431, 75b)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H33BrN4O4/c1-20-9-11-22(12-10-20)32(40)38-19-27(36-31(39)21(2)35-3)33(41)37(28-7-5-6-8-29(28)38)18-26-25-15-14-24(34)17-23(25)13-16-30(26)42-4/h5-17,21,27,35H,18-19H2,1-4H3,(H,36,39)/t21-,27-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441818
PNG
(CHEMBL2436213 | US10053431, 75d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H35BrN4O5/c1-19(33-2)29(37)34-25-18-36(30(38)20-12-14-41-15-13-20)27-7-5-4-6-26(27)35(31(25)39)17-24-23-10-9-22(32)16-21(23)8-11-28(24)40-3/h4-11,16,19-20,25,33H,12-15,17-18H2,1-3H3,(H,34,37)/t19-,25-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM243185
PNG
(US10053431, 89d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C32H31BrClN5O4/c1-19(35-2)31(41)37-25-18-38(30(40)14-20-8-13-29(34)36-16-20)26-6-4-5-7-27(26)39(32(25)42)17-24-23-11-10-22(33)15-21(23)9-12-28(24)43-3/h4-13,15-16,19,25,35H,14,17-18H2,1-3H3,(H,37,41)/t19-,25-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM243188
PNG
(US10053431, 90c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)23-8-6-7-21(15-23)17-35)29-10-5-4-9-28(29)38(33(27)42)18-26-25-13-12-24(34)16-22(25)11-14-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441832
PNG
(CHEMBL2436205 | US10053431, 90d)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C33H33BrN4O6S/c1-20(35-2)31(39)36-27-19-38(32(40)21-9-13-24(14-10-21)45(4,42)43)29-8-6-5-7-28(29)37(33(27)41)18-26-25-15-12-23(34)17-22(25)11-16-30(26)44-3/h5-17,20,27,35H,18-19H2,1-4H3,(H,36,39)/t20-,27-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM50441831
PNG
(CHEMBL2436212 | US10053431, 91c)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C31H31BrN4O5/c1-18-9-13-28(41-18)31(39)36-17-24(34-29(37)19(2)33-3)30(38)35(25-7-5-6-8-26(25)36)16-23-22-12-11-21(32)15-20(22)10-14-27(23)40-4/h5-15,19,24,33H,16-17H2,1-4H3,(H,34,37)/t19-,24-/m0/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM242829
PNG
(US9422332, 4)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1Cl
Show InChI InChI=1S/C25H30ClFN4O3/c1-14(2)20(29-23(32)15(3)28-4)25(34)31-13-12-16-8-5-6-9-17(16)22(31)24(33)30-21-18(26)10-7-11-19(21)27/h5-11,14-15,20,22,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t15-,20-,22-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.537



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...


US Patent US9422332 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NJK
More data for this
Ligand-Target Pair
XIAP protein BIR2


(Artificial Sequence)
BDBM242850
PNG
(US9422332, 10)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C25H30F2N4O3/c1-5-14(2)20(29-23(32)15(3)28-4)25(34)31-13-16-9-6-7-10-17(16)22(31)24(33)30-21-18(26)11-8-12-19(21)27/h6-12,14-15,20,22,28H,5,13H2,1-4H3,(H,29,32)(H,30,33)/t14-,15-,20-,22-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.537



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...


US Patent US9422332 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NJK
More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242643
PNG
((S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)m...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C#N
Show InChI InChI=1S/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-7-4-21(16-36)5-8-23)30-14-22(17-37)6-12-29(30)40(34(28)44)18-27-26-11-10-25(35)15-24(26)9-13-31(27)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.15n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242595
PNG
((S)-N-((S)-5-(4-acetylbenzoyl)-1-((1-(2- cyanophen...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
Show InChI InChI=1S/C37H33N7O4/c1-23(39-3)35(46)40-30-22-42(36(47)26-18-16-25(17-19-26)24(2)45)33-14-8-9-15-34(33)43(37(30)48)21-29-28-11-5-7-13-32(28)44(41-29)31-12-6-4-10-27(31)20-38/h4-19,23,30,39H,21-22H2,1-3H3,(H,40,46)/t23-,30-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.28n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
BIR2


(Homo sapiens (Human))
BDBM242601
PNG
((S)-N-((S)-5-(4-aminobenzoyl)-1-((5- bromo-2-metho...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
Show InChI InChI=1S/C32H31BrClN5O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-7-10-21(35)11-8-19)28-15-20(34)9-13-27(28)38(32(26)42)16-24-22-5-4-6-25(33)23(22)12-14-29(24)43-3/h4-15,18,26,36H,16-17,35H2,1-3H3,(H,37,40)/t18-,26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.71n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Ten nanomolar of 6 Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...


US Patent US10053431 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 446 total )  |  Next  |  Last  >>
Jump to: