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Compile Data Set for Download or QSAR

Found 5064 hits of ic50 data for polymerid = 188,3688,50007338,50007345,50007348   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304254
PNG
(US10143695, Compound 78)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O
Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0600n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304255
PNG
(US10143695, Compound 79)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-9-8-25(43)12-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0900n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304241
PNG
(US10143695, Compound 8A)
Show SMILES COC(=O)c1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C
Show InChI InChI=1S/C45H44N10O9/c1-25-14-30-20-46-32-19-37(36(62-5)18-31(32)43(59)55(30)21-25)64-13-7-8-39(56)49-38-24-53(4)40(50-38)42(58)48-28-16-34(51(2)22-28)41(57)47-29-17-35(52(3)23-29)44(60)54-12-11-26-15-27(45(61)63-6)9-10-33(26)54/h9-12,15-20,22-24,30H,1,7-8,13-14,21H2,2-6H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.140n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304240
PNG
(US10143695, Compound 7A)
Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C
Show InChI InChI=1S/C44H44N10O8/c1-25-14-29-20-45-32-19-37(36(61-6)18-31(32)43(58)54(29)21-25)62-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(60-5)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.150n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304234
PNG
(US10143695, Compound 8)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-14-26(44)8-9-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.150n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304245
PNG
(US10143695, Compound 28)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-12-25(43)9-8-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.160n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304257
PNG
(US10143695, Compound 83)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C44H45N11O7/c1-25-13-30-20-46-32-18-37(36(61-5)17-31(32)43(59)55(30)21-25)62-12-6-7-39(56)49-38-24-53(4)40(50-38)42(58)48-28-15-34(51(2)22-28)41(57)47-29-16-35(52(3)23-29)44(60)54-11-10-27-14-26(19-45)8-9-33(27)54/h8-11,14-18,20,22-24,30H,1,6-7,12-13,19,21,45H2,2-5H3,(H,47,57)(H,48,58)(H,49,56)/t30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.180n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB
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PC sid
UniChem

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US9782415 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164945
PNG
(US10166239, Ex. 3-40-5 | US9067914, Ex. 3-40-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O2S/c1-32-10-15(8-29-32)14-6-17-20(28-7-14)33(22(27)31-17)9-13-3-4-18(19(5-13)34-2)35-11-16-12-36-21(30-16)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)
PDB
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US Patent
n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164928
PNG
(US10166239, Ex. 3-35-2 | US9067914, Ex. 3-35-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-34-13-18(11-32-34)17-8-19-23(31-10-17)35(24(29)33-19)12-15-3-5-20(21(7-15)36-2)37-14-16-4-6-22(30-9-16)25(26,27)28/h3-11,13H,12,14H2,1-2H3,(H2,29,33)
PDB
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164929
PNG
(US10166239, Ex. 3-35-3 | US9067914, Ex. 3-35-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
PDB
MMDB

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PC sid
UniChem

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164930
PNG
(US10166239, Ex. 3-35-4 | US9067914, Ex. 3-35-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H27N7O2/c1-33-15-21(13-31-33)20-10-23-26(30-12-20)34(27(28)32-23)14-17-4-8-24(25(9-17)35-2)36-16-18-3-7-22(29-11-18)19-5-6-19/h3-4,7-13,15,19H,5-6,14,16H2,1-2H3,(H2,28,32)
PDB
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UniChem

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164941
PNG
(US10166239, Ex. 3-40-1 | US9067914, Ex. 3-40-1)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O3/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
PDB
MMDB

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UniChem

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164942
PNG
(US10166239, Ex. 3-40-2 | US9067914, Ex. 3-40-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O2S/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
PDB
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164943
PNG
(US10166239, Ex. 3-40-3 | US9067914, Ex. 3-40-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C
Show InChI InChI=1S/C27H29N7O2/c1-17(2)22-7-5-19(11-29-22)16-36-24-8-6-18(9-25(24)35-4)14-34-26-23(32-27(34)28)10-20(12-30-26)21-13-31-33(3)15-21/h5-13,15,17H,14,16H2,1-4H3,(H2,28,32)
PDB
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164944
PNG
(US10166239, Ex. 3-40-4 | US9067914, Ex. 3-40-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-15-21(13-33-35)20-10-22-25(32-12-20)36(26(31)34-22)14-19-7-8-23(24(9-19)37-2)38-16-18-5-3-17(4-6-18)11-27(28,29)30/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,31,34)
PDB
MMDB

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UniChem

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164945
PNG
(US10166239, Ex. 3-40-5 | US9067914, Ex. 3-40-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O2S/c1-32-10-15(8-29-32)14-6-17-20(28-7-14)33(22(27)31-17)9-13-3-4-18(19(5-13)34-2)35-11-16-12-36-21(30-16)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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UniChem

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164928
PNG
(US10166239, Ex. 3-35-2 | US9067914, Ex. 3-35-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-34-13-18(11-32-34)17-8-19-23(31-10-17)35(24(29)33-19)12-15-3-5-20(21(7-15)36-2)37-14-16-4-6-22(30-9-16)25(26,27)28/h3-11,13H,12,14H2,1-2H3,(H2,29,33)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164929
PNG
(US10166239, Ex. 3-35-3 | US9067914, Ex. 3-35-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164930
PNG
(US10166239, Ex. 3-35-4 | US9067914, Ex. 3-35-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H27N7O2/c1-33-15-21(13-31-33)20-10-23-26(30-12-20)34(27(28)32-23)14-17-4-8-24(25(9-17)35-2)36-16-18-3-7-22(29-11-18)19-5-6-19/h3-4,7-13,15,19H,5-6,14,16H2,1-2H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164941
PNG
(US10166239, Ex. 3-40-1 | US9067914, Ex. 3-40-1)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O3/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164942
PNG
(US10166239, Ex. 3-40-2 | US9067914, Ex. 3-40-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O2S/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164943
PNG
(US10166239, Ex. 3-40-3 | US9067914, Ex. 3-40-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C
Show InChI InChI=1S/C27H29N7O2/c1-17(2)22-7-5-19(11-29-22)16-36-24-8-6-18(9-25(24)35-4)14-34-26-23(32-27(34)28)10-20(12-30-26)21-13-31-33(3)15-21/h5-13,15,17H,14,16H2,1-4H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164944
PNG
(US10166239, Ex. 3-40-4 | US9067914, Ex. 3-40-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-15-21(13-33-35)20-10-22-25(32-12-20)36(26(31)34-22)14-19-7-8-23(24(9-19)37-2)38-16-18-5-3-17(4-6-18)11-27(28,29)30/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,31,34)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164945
PNG
(US10166239, Ex. 3-40-5 | US9067914, Ex. 3-40-5)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1csc(n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O2S/c1-32-10-15(8-29-32)14-6-17-20(28-7-14)33(22(27)31-17)9-13-3-4-18(19(5-13)34-2)35-11-16-12-36-21(30-16)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)
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n/an/a 0.200n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/a7.5n/a



Array Biopharma, Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164928
PNG
(US10166239, Ex. 3-35-2 | US9067914, Ex. 3-35-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2/c1-34-13-18(11-32-34)17-8-19-23(31-10-17)35(24(29)33-19)12-15-3-5-20(21(7-15)36-2)37-14-16-4-6-22(30-9-16)25(26,27)28/h3-11,13H,12,14H2,1-2H3,(H2,29,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164929
PNG
(US10166239, Ex. 3-35-3 | US9067914, Ex. 3-35-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164930
PNG
(US10166239, Ex. 3-35-4 | US9067914, Ex. 3-35-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C1CC1
Show InChI InChI=1S/C27H27N7O2/c1-33-15-21(13-31-33)20-10-23-26(30-12-20)34(27(28)32-23)14-17-4-8-24(25(9-17)35-2)36-16-18-3-7-22(29-11-18)19-5-6-19/h3-4,7-13,15,19H,5-6,14,16H2,1-2H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164941
PNG
(US10166239, Ex. 3-40-1 | US9067914, Ex. 3-40-1)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O3/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164942
PNG
(US10166239, Ex. 3-40-2 | US9067914, Ex. 3-40-2)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N6O2S/c1-34-14-19(12-32-34)18-10-21-24(31-11-18)35(25(30)33-21)13-17-5-8-22(23(9-17)36-2)37-15-16-3-6-20(7-4-16)38-26(27,28)29/h3-12,14H,13,15H2,1-2H3,(H2,30,33)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164943
PNG
(US10166239, Ex. 3-40-3 | US9067914, Ex. 3-40-3)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(nc1)C(C)C
Show InChI InChI=1S/C27H29N7O2/c1-17(2)22-7-5-19(11-29-22)16-36-24-8-6-18(9-25(24)35-4)14-34-26-23(32-27(34)28)10-20(12-30-26)21-13-31-33(3)15-21/h5-13,15,17H,14,16H2,1-4H3,(H2,28,32)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164944
PNG
(US10166239, Ex. 3-40-4 | US9067914, Ex. 3-40-4)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O2/c1-35-15-21(13-33-35)20-10-22-25(32-12-20)36(26(31)34-22)14-19-7-8-23(24(9-19)37-2)38-16-18-5-3-17(4-6-18)11-27(28,29)30/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,31,34)
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n/an/a 0.200n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304242
PNG
(US10143695, Compound 19)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C44H44N10O7S/c1-25-14-29-20-45-32-19-37(36(60-5)18-31(32)43(58)54(29)21-25)61-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(62-6)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304246
PNG
(US10143695, Compound 13A)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C43H43N11O7/c1-24-13-29-19-45-31-18-36(35(60-5)17-30(31)42(58)54(29)20-24)61-12-6-7-38(55)48-37-23-52(4)39(49-37)41(57)47-27-15-33(50(2)21-27)40(56)46-28-16-34(51(3)22-28)43(59)53-11-10-25-8-9-26(44)14-32(25)53/h8-11,14-19,21-23,29H,1,6-7,12-13,20,44H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304254
PNG
(US10143695, Compound 78)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O
Show InChI InChI=1S/C46H43N11O7/c1-53-23-29(18-36(53)43(59)49-30-19-37(54(2)24-30)46(62)56-14-13-27-16-28(47)11-12-34(27)56)50-44(60)42-52-40(25-55(42)3)51-41(58)10-7-15-64-39-21-33-32(20-38(39)63-4)45(61)57-31(22-48-33)17-26-8-5-6-9-35(26)57/h5-6,8-9,11-14,16,18-25,31H,7,10,15,17,47H2,1-4H3,(H,49,59)(H,50,60)(H,51,58)/t31-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304247
PNG
(US10143695, Compound 48)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C42H40N10O7S/c1-23-12-28-18-44-30-17-36(35(58-4)16-29(30)40(56)52(28)19-23)59-11-5-6-37(53)48-42-47-31(22-60-42)38(54)45-26-14-33(49(2)20-26)39(55)46-27-15-34(50(3)21-27)41(57)51-10-9-24-13-25(43)7-8-32(24)51/h7-10,13-18,20-22,28H,1,5-6,11-12,19,43H2,2-4H3,(H,45,54)(H,46,55)(H,47,48,53)/t28-/m0/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164901
PNG
(US10166239, Ex. 3-15 | US9067914, Ex. 3-15)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164940
PNG
(US10166239, Ex. 3-39 | US9067914, Ex. 3-39)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C27H23F5N6O2/c1-37-14-19(12-35-37)18-10-21-24(34-11-18)38(25(33)36-21)13-17-5-8-22(23(9-17)39-2)40-15-16-3-6-20(7-4-16)26(28,29)27(30,31)32/h3-12,14H,13,15H2,1-2H3,(H2,33,36)
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n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164956
PNG
(US10166239, Ex. 3-49-6a | US9067914, Ex. 3-49-6a)
Show SMILES COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)[C@H](C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-14,16H,15H2,1-3H3,(H2,31,34)/t16-/m0/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Genzyme Corporation

US Patent


Assay Description
In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, ...


US Patent US10166239 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164901
PNG
(US10166239, Ex. 3-15 | US9067914, Ex. 3-15)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)
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n/an/a 0.300n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304240
PNG
(US10143695, Compound 7A)
Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C
Show InChI InChI=1S/C44H44N10O8/c1-25-14-29-20-45-32-19-37(36(61-6)18-31(32)43(58)54(29)21-25)62-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(60-5)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM314760
PNG
(US9611265, Ex. 3-49)
Show SMILES COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)C(C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-14,16H,15H2,1-3H3,(H2,31,34)
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n/an/a 0.300n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164901
PNG
(US10166239, Ex. 3-15 | US9067914, Ex. 3-15)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(cnc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)
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n/an/a 0.300n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164940
PNG
(US10166239, Ex. 3-39 | US9067914, Ex. 3-39)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C27H23F5N6O2/c1-37-14-19(12-35-37)18-10-21-24(34-11-18)38(25(33)36-21)13-17-5-8-22(23(9-17)39-2)40-15-16-3-6-20(7-4-16)26(28,29)27(30,31)32/h3-12,14H,13,15H2,1-2H3,(H2,33,36)
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n/an/a 0.300n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164956
PNG
(US10166239, Ex. 3-49-6a | US9067914, Ex. 3-49-6a)
Show SMILES COc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)[C@H](C)n1c(N)nc2cc(cnc12)-c1cnn(C)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-16(36-25-22(34-26(36)31)10-19(12-32-25)20-13-33-35(2)14-20)18-6-9-23(24(11-18)37-3)38-15-17-4-7-21(8-5-17)27(28,29)30/h4-14,16H,15H2,1-3H3,(H2,31,34)/t16-/m0/s1
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n/an/a 0.300n/an/an/an/a7.525



Genzyme Corporation

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9067914 (2015)


BindingDB Entry DOI: 10.7270/Q28051CB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164885
PNG
(US10166239, Ex. 3-1 | US9067914, Ex. 3-1)
Show SMILES COc1ccc(COc2ccc(Cn3c(N)nc4cc(ccc34)-c3cnn(C)c3)cc2OC)cc1
Show InChI InChI=1S/C27H27N5O3/c1-31-16-21(14-29-31)20-7-10-24-23(13-20)30-27(28)32(24)15-19-6-11-25(26(12-19)34-3)35-17-18-4-8-22(33-2)9-5-18/h4-14,16H,15,17H2,1-3H3,(H2,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged human TrkA cytoplasmic domain (436 to 790 amino acids) pre-incubated for 15 mins before peptide substrate additio...


J Med Chem 60: 66-88 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00964
BindingDB Entry DOI: 10.7270/Q2C24ZCR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM164940
PNG
(US10166239, Ex. 3-39 | US9067914, Ex. 3-39)
Show SMILES COc1cc(Cn2c(N)nc3cc(cnc23)-c2cnn(C)c2)ccc1OCc1ccc(cc1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C27H23F5N6O2/c1-37-14-19(12-35-37)18-10-21-24(34-11-18)38(25(33)36-21)13-17-5-8-22(23(9-17)39-2)40-15-16-3-6-20(7-4-16)26(28,29)27(30,31)32/h3-12,14H,13,15H2,1-2H3,(H2,33,36)
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n/an/a 0.300n/an/an/an/an/an/a



GENZYME CORPORATION

US Patent


Assay Description
Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 deter...


US Patent US9611265 (2017)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304255
PNG
(US10143695, Compound 79)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-9-8-25(43)12-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM304242
PNG
(US10143695, Compound 19)
Show SMILES COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O
Show InChI InChI=1S/C44H44N10O7S/c1-25-14-29-20-45-32-19-37(36(60-5)18-31(32)43(58)54(29)21-25)61-13-7-8-39(55)48-38-24-52(4)40(49-38)42(57)47-27-16-34(50(2)22-27)41(56)46-28-17-35(51(3)23-28)44(59)53-12-11-26-15-30(62-6)9-10-33(26)53/h9-12,15-20,22-24,29H,1,7-8,13-14,21H2,2-6H3,(H,46,56)(H,47,57)(H,48,55)/t29-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Mersana Therapeutics, Inc.

US Patent


Assay Description
PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega ...


US Patent US10143695 (2018)

More data for this
Ligand-Target Pair
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