BindingDB logo
myBDB logout

Patent code US10117944

Compile Data Set for Download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))
BDBM297487
PNG
(US10117944, Compound SDC-TRAP-0247)
Show SMILES CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(cc1)C(=O)NCCCCCCC1(C)OB(OC1(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
Show InChI InChI=1S/C51H66BN9O8/c1-9-54-49(67)45-60-59-44(38-29-37(33(4)5)41(62)30-42(38)63)61(45)36-21-19-35(20-22-36)46(64)56-24-16-11-10-15-23-51(8)50(6,7)68-52(69-51)43(27-32(2)3)58-47(65)39(28-34-17-13-12-14-18-34)57-48(66)40-31-53-25-26-55-40/h12-14,17-22,25-26,29-33,39,43,62-63H,9-11,15-16,23-24,27-28H2,1-8H3,(H,54,67)(H,56,64)(H,57,66)(H,58,65)/t39-,43-,51?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297485
PNG
(US10117944, Compound SDC-TRAP-0249)
Show SMILES CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(cc2)C(=O)N2CCC3(CC2)OB(OC3(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C54H62BN9O9/c1-8-57-51(69)48-62-61-47(41-30-40(34(4)5)44(65)31-45(41)66)64(48)37-16-20-39(21-17-37)71-38-18-14-36(15-19-38)52(70)63-26-22-54(23-27-63)53(6,7)72-55(73-54)46(28-33(2)3)60-49(67)42(29-35-12-10-9-11-13-35)59-50(68)43-32-56-24-25-58-43/h9-21,24-25,30-34,42,46,65-66H,8,22-23,26-29H2,1-7H3,(H,57,69)(H,59,68)(H,60,67)/t42-,46-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297478
PNG
(US10117944, Compound SDC-TRAP-0248)
Show SMILES CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(cc2)C(=O)NCC[C@]23OB(O[C@H]2C[C@@H]2C[C@H]3C2(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C57H66BN9O9/c1-8-60-55(73)51-66-65-50(42-30-41(34(4)5)45(68)31-46(42)69)67(51)38-16-20-40(21-17-38)74-39-18-14-36(15-19-39)52(70)62-23-22-57-47-28-37(56(47,6)7)29-48(57)75-58(76-57)49(26-33(2)3)64-53(71)43(27-35-12-10-9-11-13-35)63-54(72)44-32-59-24-25-61-44/h9-21,24-25,30-34,37,43,47-49,68-69H,8,22-23,26-29H2,1-7H3,(H,60,73)(H,62,70)(H,63,72)(H,64,71)/t37-,43-,47-,48-,49-,57+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297479
PNG
(US10117944, Compound SDC-TRAP-0244)
Show SMILES CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(cc1)C(=O)N(C)CC[C@]12OB(O[C@H]1C[C@H]1C[C@@H]2C1(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
Show InChI InChI=1S/C52H64BN9O8/c1-9-55-49(67)46-60-59-45(37-27-36(31(4)5)40(63)28-41(37)64)62(46)35-17-15-33(16-18-35)50(68)61(8)22-19-52-42-25-34(51(42,6)7)26-43(52)69-53(70-52)44(23-30(2)3)58-47(65)38(24-32-13-11-10-12-14-32)57-48(66)39-29-54-20-21-56-39/h10-18,20-21,27-31,34,38,42-44,63-64H,9,19,22-26H2,1-8H3,(H,55,67)(H,57,66)(H,58,65)/t34-,38+,42-,43+,44+,52-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297482
PNG
(US10117944, Compound SDC-TRAP-0246)
Show SMILES CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(cc2)C(=O)NCCCCCCC2(C)OB(OC2(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C57H70BN9O9/c1-9-60-55(73)51-66-65-50(44-33-43(37(4)5)47(68)34-48(44)69)67(51)40-21-25-42(26-22-40)74-41-23-19-39(20-24-41)52(70)62-28-16-11-10-15-27-57(8)56(6,7)75-58(76-57)49(31-36(2)3)64-53(71)45(32-38-17-13-12-14-18-38)63-54(72)46-35-59-29-30-61-46/h12-14,17-26,29-30,33-37,45,49,68-69H,9-11,15-16,27-28,31-32H2,1-8H3,(H,60,73)(H,62,70)(H,63,72)(H,64,71)/t45-,49-,57?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297490
PNG
(US10117944, Compound SDC-TRAP-0245)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(CC(=O)N2CCC(CCn3ccc4cc(ccc34)N(C(O)=N)C(=N)c3cc(C(C)C)c(O)cc3O)CC2)O1
Show InChI InChI=1S/C56H70BN9O8/c1-33(2)24-49(63-52(70)42(25-36-10-8-7-9-11-36)62-53(71)43-32-60-18-19-61-43)57-73-48-28-38-27-47(55(38,5)6)56(48,74-57)31-50(69)65-21-15-35(16-22-65)14-20-64-23-17-37-26-39(12-13-44(37)64)66(54(59)72)51(58)41-29-40(34(3)4)45(67)30-46(41)68/h7-13,17-19,23,26,29-30,32-35,38,42,47-49,58,67-68H,14-16,20-22,24-25,27-28,31H2,1-6H3,(H2,59,72)(H,62,71)(H,63,70)/t38-,42+,47-,48+,49+,56-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 117n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297491
PNG
(US10117944, Compound SDC-TRAP-0242)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCC(COc2ccc(cc2)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)CC1
Show InChI InChI=1S/C54H63BN8O9/c1-33(2)27-47(59-49(66)43(28-35-11-9-8-10-12-35)58-50(67)44-31-56-23-24-57-44)55-71-53(5,6)54(7,72-55)38-15-13-37(14-16-38)51(68)62-25-21-36(22-26-62)32-70-40-19-17-39(18-20-40)63-48(60-61-52(63)69)42-29-41(34(3)4)45(64)30-46(42)65/h8-20,23-24,29-31,33-34,36,43,47,64-65H,21-22,25-28,32H2,1-7H3,(H,58,67)(H,59,66)(H,61,69)/t43-,47-,54?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 407n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297481
PNG
(US10117944, Compound SDC-TRAP-0236)
Show SMILES CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)CC1
Show InChI InChI=1S/C53H64BN9O8/c1-33(2)27-46(58-48(66)42(28-35-11-9-8-10-12-35)57-49(67)43-31-55-21-22-56-43)54-70-52(5,6)53(7,71-54)38-17-15-37(16-18-38)50(68)62-25-23-61(24-26-62)32-36-13-19-39(20-14-36)63-47(59-60-51(63)69)41-29-40(34(3)4)44(64)30-45(41)65/h8-22,29-31,33-34,42,46,48,58,64-66H,23-28,32H2,1-7H3,(H,57,67)(H,60,69)/t42-,46-,48?,53?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 710n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297486
PNG
(US10117944, Compound SDC-TRAP-0250)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C2(CCN(CC2)C(=O)CCn2ccc3cc(ccc23)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)O1
Show InChI InChI=1S/C49H58BN9O8/c1-30(2)24-42(54-45(63)37(25-32-10-8-7-9-11-32)53-46(64)38-29-51-18-19-52-38)50-66-48(5,6)49(67-50)16-22-58(23-17-49)43(62)15-21-57-20-14-33-26-34(12-13-39(33)57)59-44(55-56-47(59)65)36-27-35(31(3)4)40(60)28-41(36)61/h7-14,18-20,26-31,37,42,60-61H,15-17,21-25H2,1-6H3,(H,53,64)(H,54,63)(H,56,65)/t37-,42-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.12E+3n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297488
PNG
(US10117944, Compound SDC-TRAP-0251)
Show SMILES CCNC(=O)C(=N)N(C(=N)c1cc(C(C)C)c(O)cc1O)c1ccc(cc1)C(=O)N1CCC2(CC1)OB(OC2(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1
Show InChI InChI=1S/C48H60BN9O8/c1-8-53-45(63)42(51)58(41(50)35-26-34(30(4)5)38(59)27-39(35)60)33-16-14-32(15-17-33)46(64)57-22-18-48(19-23-57)47(6,7)65-49(66-48)40(24-29(2)3)56-43(61)36(25-31-12-10-9-11-13-31)55-44(62)37-28-52-20-21-54-37/h9-17,20-21,26-30,36,40,50-51,59-60H,8,18-19,22-25H2,1-7H3,(H,53,63)(H,55,62)(H,56,61)/t36-,40-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297489
PNG
(US10117944, Compound SDC-TRAP-0240)
Show SMILES CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(CCC3CCN(CC3)C(=O)c3ccc(cc3)C3(C)OB(OC3(C)C)[C@H](CC(C)C)NC(O)[C@H](Cc3ccccc3)NC(=O)c3cnccn3)ccc2c1
Show InChI InChI=1S/C60H73BN10O8/c1-9-63-57(76)54-68-67-53(46-34-45(38(4)5)50(72)35-51(46)73)71(54)44-19-20-49-42(33-44)24-30-69(49)27-21-39-22-28-70(29-23-39)58(77)41-15-17-43(18-16-41)60(8)59(6,7)78-61(79-60)52(31-37(2)3)66-55(74)47(32-40-13-11-10-12-14-40)65-56(75)48-36-62-25-26-64-48/h10-20,24-26,30,33-39,47,52,55,66,72-74H,9,21-23,27-29,31-32H2,1-8H3,(H,63,76)(H,65,75)/t47-,52-,55?,60?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297484
PNG
(US10117944, Compound SDC-TRAP-0239)
Show SMILES CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCc2ccc(cc2C1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C51H59BN8O8/c1-30(2)23-44(56-46(63)40(24-32-11-9-8-10-12-32)55-47(64)41-28-53-20-21-54-41)52-67-50(5,6)51(7,68-52)36-16-13-34(14-17-36)48(65)59-22-19-33-15-18-37(25-35(33)29-59)60-45(57-58-49(60)66)39-26-38(31(3)4)42(61)27-43(39)62/h8-18,20-21,25-28,30-31,40,44,46,56,61-63H,19,22-24,29H2,1-7H3,(H,55,64)(H,58,66)/t40-,44-,46?,51?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297483
PNG
(US10117944, Compound SDC-TRAP-0238)
Show SMILES CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C52H62BN9O8/c1-32(2)27-45(57-47(65)41(28-34-11-9-8-10-12-34)56-48(66)42-31-54-21-22-55-42)53-69-51(5,6)52(7,70-53)36-15-13-35(14-16-36)49(67)61-25-23-60(24-26-61)37-17-19-38(20-18-37)62-46(58-59-50(62)68)40-29-39(33(3)4)43(63)30-44(40)64/h8-22,29-33,41,45,47,57,63-65H,23-28H2,1-7H3,(H,56,66)(H,59,68)/t41-,45-,47?,52?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

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


(Homo sapiens (human))
BDBM297480
PNG
(US10117944, Compound SDC-TRAP-0237)
Show SMILES CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCC(CCn2ccc3cc(ccc23)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)CC1
Show InChI InChI=1S/C57H68BN9O8/c1-35(2)29-50(62-52(70)45(30-38-11-9-8-10-12-38)61-53(71)46-34-59-23-24-60-46)58-74-56(5,6)57(7,75-58)41-15-13-39(14-16-41)54(72)66-26-20-37(21-27-66)19-25-65-28-22-40-31-42(17-18-47(40)65)67-51(63-64-55(67)73)44-32-43(36(3)4)48(68)33-49(44)69/h8-18,22-24,28,31-37,45,50,52,62,68-70H,19-21,25-27,29-30H2,1-7H3,(H,61,71)(H,64,73)/t45-,50-,52?,57?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



MADRIGAL PHARMACEUTICALS, INC.

US Patent


Assay Description
HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3...


US Patent US10117944 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%