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Compile Data Set for Download or QSAR

Found 83 hits of ic50 for UniProtKB: P21802   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350052
PNG
(US10208024, Example 51 | US10766881, Example 51)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1cc(C)c(=O)n(n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H34N8O4/c1-18-11-24(33-36(28(18)37)21-12-22(39-3)14-23(13-21)40-4)26-27(29)30-16-25(32-26)19-15-31-35(17-19)20-5-7-34(8-6-20)9-10-38-2/h11-17,20H,5-10H2,1-4H3,(H2,29,30)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350042
PNG
(US10208024, Example 41 | US10766881, Example 41)
Show SMILES COc1cc(OC)c(F)c(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H25FN8O3/c1-35-16-9-19(22(25)20(10-16)36-2)33-21(34)4-3-17(31-33)23-24(26)28-12-18(30-23)14-11-29-32(13-14)15-5-7-27-8-6-15/h3-4,9-13,15,27H,5-8H2,1-2H3,(H2,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350051
PNG
(US10208024, Example 50 | US10766881, Example 50)
Show SMILES COc1cc(OC)cc(c1)-n1nc(cc(C)c1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H28N8O3/c1-15-8-21(31-33(25(15)34)18-9-19(35-2)11-20(10-18)36-3)23-24(26)28-13-22(30-23)16-12-29-32(14-16)17-4-6-27-7-5-17/h8-14,17,27H,4-7H2,1-3H3,(H2,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350049
PNG
(6-(3-amino-6-(1-methyl- 1H-pyrazol-4-yl)pyrazin- 2...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(cc(C2CC2)c1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C23H23N7O3/c1-29-12-14(10-26-29)20-11-25-22(24)21(27-20)19-9-18(13-4-5-13)23(31)30(28-19)15-6-16(32-2)8-17(7-15)33-3/h6-13H,4-5H2,1-3H3,(H2,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350082
PNG
(US10208024, Example 81 | US10766881, Example 81)
Show SMILES COc1cc(OC)cc(c1)-n1nc(cc(C)c1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H29N7O3/c1-16-8-24(31-33(26(16)34)20-10-21(35-2)12-22(11-20)36-3)23-9-17(13-29-25(23)27)18-14-30-32(15-18)19-4-6-28-7-5-19/h8-15,19,28H,4-7H2,1-3H3,(H2,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350033
PNG
(US10208024, Example 32 | US10766881, Example 32)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C25H28N8O3/c1-31-8-6-17(7-9-31)32-15-16(13-28-32)22-14-27-25(26)24(29-22)21-4-5-23(34)33(30-21)18-10-19(35-2)12-20(11-18)36-3/h4-5,10-15,17H,6-9H2,1-3H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350050
PNG
(6-(3-amino-6-(1-methyl- 1H-pyrazol-4-yl)pyrazin- 2...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(cc(C2CCC2)c1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O3/c1-30-13-15(11-27-30)21-12-26-23(25)22(28-21)20-10-19(14-5-4-6-14)24(32)31(29-20)16-7-17(33-2)9-18(8-16)34-3/h7-14H,4-6H2,1-3H3,(H2,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350045
PNG
(US10208024, Example 44 | US10766881, Example 44)
Show SMILES CCc1cc(nn(-c2cc(OC)cc(OC)c2)c1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O3/c1-5-13-6-18(20-21(23)24-11-19(26-20)14-10-25-28(2)12-14)27-29(22(13)30)15-7-16(31-3)9-17(8-15)32-4/h6-12H,5H2,1-4H3,(H2,23,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350043
PNG
(US10208024, Example 42 | US10766881, Example 42)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C27H31FN8O4/c1-38-11-10-34-8-6-18(7-9-34)35-16-17(14-31-35)21-15-30-27(29)26(32-21)20-4-5-24(37)36(33-20)22-12-19(39-2)13-23(40-3)25(22)28/h4-5,12-16,18H,6-11H2,1-3H3,(H2,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350032
PNG
(US10208024, Example 31 | US10766881, Example 31)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H26N8O3/c1-34-18-9-17(10-19(11-18)35-2)32-22(33)4-3-20(30-32)23-24(25)27-13-21(29-23)15-12-28-31(14-15)16-5-7-26-8-6-16/h3-4,9-14,16,26H,5-8H2,1-2H3,(H2,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM462139
PNG
(US10766881, Example 60)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)-c1ccc(=O)n(n1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-12.66,-2.5,;-11.57,-1.41,;-10.09,-1.8,;-9,-.72,;-7.51,-1.11,;-6.42,-.03,;-4.93,-.42,;-4.53,-1.91,;-5.62,-3,;-7.11,-2.6,;-3.05,-2.31,;-2.14,-1.06,;-.68,-1.54,;-.68,-3.08,;-2.14,-3.56,;.66,-.77,;.66,.77,;1.99,1.54,;3.33,.77,;4.66,1.54,;3.33,-.77,;1.99,-1.54,;4.66,-1.54,;4.66,-3.08,;5.99,-3.85,;7.33,-3.08,;8.66,-3.85,;7.33,-1.54,;5.99,-.77,;8.66,-.77,;9.99,-1.54,;9.99,-3.08,;11.33,-.77,;12.66,-1.54,;12.66,-3.08,;11.33,.77,;9.99,1.54,;9.99,3.08,;8.66,3.85,;8.66,.77,;7.33,1.54,)|
Show InChI InChI=1S/C28H31Cl2N7O4/c1-39-11-10-35-8-6-19(7-9-35)36-16-18(15-33-36)17-12-20(28(31)32-14-17)21-4-5-24(38)37(34-21)27-25(29)22(40-2)13-23(41-3)26(27)30/h4-5,12-16,19H,6-11H2,1-3H3,(H2,31,32)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350048
PNG
(US10208024, Example 47 | US10766881, Example 47)
Show SMILES COc1cc(OC)cc(c1)-n1nc(cc(C(C)C)c1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O3/c1-13(2)18-9-19(21-22(24)25-11-20(27-21)14-10-26-29(3)12-14)28-30(23(18)31)15-6-16(32-4)8-17(7-15)33-5/h6-13H,1-5H3,(H2,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350015
PNG
(6-(3-amino-6-(1- methyl-1H-pyrazol-4- yl)pyrazin-2...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C20H18ClN7O3/c1-27-10-11(8-24-27)14-9-23-20(22)19(25-14)13-4-5-17(29)28(26-13)15-6-12(30-2)7-16(31-3)18(15)21/h4-10H,1-3H3,(H2,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350044
PNG
(US10208024, Example 43 | US10766881, Example 43)
Show SMILES COc1cc(OC)cc(c1)-n1nc(cc(C)c1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C21H21N7O3/c1-12-5-17(19-20(22)23-10-18(25-19)13-9-24-27(2)11-13)26-28(21(12)29)14-6-15(30-3)8-16(7-14)31-4/h5-11H,1-4H3,(H2,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350034
PNG
(US10208024, Example 33 | US10766881, Example 33)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H32N8O4/c1-37-11-10-33-8-6-19(7-9-33)34-17-18(15-30-34)24-16-29-27(28)26(31-24)23-4-5-25(36)35(32-23)20-12-21(38-2)14-22(13-20)39-3/h4-5,12-17,19H,6-11H2,1-3H3,(H2,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350025
PNG
(US10208024, Example 24 | US10766881, Example 24)
Show SMILES COc1cc(OC)c(Br)c(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C20H18BrN7O3/c1-27-10-11(8-24-27)14-9-23-20(22)19(25-14)13-4-5-17(29)28(26-13)15-6-12(30-2)7-16(31-3)18(15)21/h4-10H,1-3H3,(H2,22,23)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350028
PNG
(US10208024, Example 27 | US10766881, Example 27)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C[C@@H]2CNC(C)(C)CO2)c1 |r|
Show InChI InChI=1S/C26H30N8O4/c1-26(2)15-38-20(11-29-26)14-33-13-16(10-30-33)22-12-28-25(27)24(31-22)21-5-6-23(35)34(32-21)17-7-18(36-3)9-19(8-17)37-4/h5-10,12-13,20,29H,11,14-15H2,1-4H3,(H2,27,28)/t20-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350027
PNG
(US10208024, Example 26 | US10766881, Example 26)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C[C@H]2CNC(C)(C)CO2)c1 |r|
Show InChI InChI=1S/C26H30N8O4/c1-26(2)15-38-20(11-29-26)14-33-13-16(10-30-33)22-12-28-25(27)24(31-22)21-5-6-23(35)34(32-21)17-7-18(36-3)9-19(8-17)37-4/h5-10,12-13,20,29H,11,14-15H2,1-4H3,(H2,27,28)/t20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350029
PNG
(US10208024, Example 28 | US10766881, Example 28)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C[C@@H]2CN[C@H](C)CO2)c1 |r|
Show InChI InChI=1S/C25H28N8O4/c1-15-14-37-20(10-27-15)13-32-12-16(9-29-32)22-11-28-25(26)24(30-22)21-4-5-23(34)33(31-21)17-6-18(35-2)8-19(7-17)36-3/h4-9,11-12,15,20,27H,10,13-14H2,1-3H3,(H2,26,28)/t15-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350059
PNG
(US10208024, Example 58 | US10766881, Example 58)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 |(6.08,3.85,;7.42,3.08,;7.42,1.54,;8.75,.77,;8.75,-.77,;10.08,-1.54,;10.08,-3.08,;7.42,-1.54,;7.42,-3.08,;6.08,-.77,;6.08,.77,;4.75,1.54,;4.75,-1.54,;3.42,-.77,;2.08,-1.54,;2.08,-3.08,;3.42,-3.85,;4.75,-3.08,;6.08,-3.85,;.75,-.77,;-.58,-1.54,;-1.92,-.77,;-1.92,.77,;-.58,1.54,;.75,.77,;2.08,1.54,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-4.72,-1.06,;-7.11,-1.91,;-7.51,-.42,;-9,-.03,;-10.08,-1.11,;-9.69,-2.6,;-8.2,-3,)|
Show InChI InChI=1S/C25H25Cl2N7O3/c1-36-19-10-20(37-2)23(27)24(22(19)26)34-21(35)4-3-18(32-34)17-9-14(11-30-25(17)28)15-12-31-33(13-15)16-5-7-29-8-6-16/h3-4,9-13,16,29H,5-8H2,1-2H3,(H2,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350020
PNG
(US10208024, Example 19 | US10766881, Example 19)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CCN2CCOCC2)c1
Show InChI InChI=1S/C25H28N8O4/c1-35-19-11-18(12-20(13-19)36-2)33-23(34)4-3-21(30-33)24-25(26)27-15-22(29-24)17-14-28-32(16-17)6-5-31-7-9-37-10-8-31/h3-4,11-16H,5-10H2,1-2H3,(H2,26,27)
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350005
PNG
(1-((4-(5-amino-6-(1- (3,5- dimethoxyphenyl)-6- oxo...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CC2(CC2)C#N)c1
Show InChI InChI=1S/C24H22N8O3/c1-34-17-7-16(8-18(9-17)35-2)32-21(33)4-3-19(30-32)22-23(26)27-11-20(29-22)15-10-28-31(12-15)14-24(13-25)5-6-24/h3-4,7-12H,5-6,14H2,1-2H3,(H2,26,27)
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350031
PNG
(US10208024, Example 30 | US10766881, Example 30)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C[C@H]2CN[C@H](C)CO2)c1 |r|
Show InChI InChI=1S/C25H28N8O4/c1-15-14-37-20(10-27-15)13-32-12-16(9-29-32)22-11-28-25(26)24(30-22)21-4-5-23(34)33(31-21)17-6-18(35-2)8-19(7-17)36-3/h4-9,11-12,15,20,27H,10,13-14H2,1-3H3,(H2,26,28)/t15-,20-/m1/s1
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350041
PNG
(US10208024, Example 40 | US10766881, Example 40)
Show SMILES COc1ccc(F)c(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H23FN8O2/c1-34-16-2-3-17(24)20(10-16)32-21(33)5-4-18(30-32)22-23(25)27-12-19(29-22)14-11-28-31(13-14)15-6-8-26-9-7-15/h2-5,10-13,15,26H,6-9H2,1H3,(H2,25,27)
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350066
PNG
(US10208024, Example 65 | US10766881, Example 65)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C[C@@H]2CN(C)C(C)(C)CO2)c1 |r|
Show InChI InChI=1S/C27H32N8O4/c1-27(2)16-39-21(14-33(27)3)15-34-13-17(11-30-34)23-12-29-26(28)25(31-23)22-6-7-24(36)35(32-22)18-8-19(37-4)10-20(9-18)38-5/h6-13,21H,14-16H2,1-5H3,(H2,28,29)/t21-/m0/s1
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350083
PNG
(US10208024, Example 82 | US10766881, Example 82)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1c(F)c(OC)cc(OC)c1F |(-13.14,-4.41,;-12.37,-3.08,;-10.83,-3.08,;-10.06,-1.75,;-8.52,-1.75,;-7.75,-.41,;-6.21,-.41,;-5.44,-1.75,;-6.21,-3.08,;-7.75,-3.08,;-3.9,-1.75,;-3,-.5,;-1.53,-.98,;-1.53,-2.52,;-3,-2.99,;-.2,-.21,;-.2,1.33,;1.14,2.1,;2.47,1.33,;3.8,2.1,;2.47,-.21,;1.14,-.98,;3.8,-.98,;3.8,-2.52,;5.14,-3.29,;6.47,-2.52,;7.81,-3.29,;6.47,-.98,;5.14,-.21,;7.81,-.21,;9.14,-.98,;9.14,-2.52,;10.47,-.21,;11.81,-.98,;13.14,-.21,;10.47,1.33,;9.14,2.1,;9.14,3.64,;10.47,4.41,;7.81,1.33,;6.47,2.1,)|
Show InChI InChI=1S/C27H30F2N8O4/c1-39-11-10-35-8-6-17(7-9-35)36-15-16(13-32-36)19-14-31-27(30)25(33-19)18-4-5-22(38)37(34-18)26-23(28)20(40-2)12-21(41-3)24(26)29/h4-5,12-15,17H,6-11H2,1-3H3,(H2,30,31)
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350006
PNG
(6-(3-amino-6-(1- (4,4,4-trifluoro-2- hydroxybutyl)...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CC(O)CC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N7O4/c1-36-16-5-14(6-17(7-16)37-2)33-20(35)4-3-18(31-33)21-22(27)28-10-19(30-21)13-9-29-32(11-13)12-15(34)8-23(24,25)26/h3-7,9-11,15,34H,8,12H2,1-2H3,(H2,27,28)
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350036
PNG
(US10208024, Example 35 | US10766881, Example 35)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCN(CC(F)F)CC1
Show InChI InChI=1S/C26H28F2N8O3/c1-38-19-9-18(10-20(11-19)39-2)36-24(37)4-3-21(33-36)25-26(29)30-13-22(32-25)16-12-31-35(14-16)17-5-7-34(8-6-17)15-23(27)28/h3-4,9-14,17,23H,5-8,15H2,1-2H3,(H2,29,30)
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US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350002
PNG
(US10208024, Example 1 | US10766881, Example 1)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N7O3/c1-26-11-12(9-23-26)17-10-22-20(21)19(24-17)16-4-5-18(28)27(25-16)13-6-14(29-2)8-15(7-13)30-3/h4-11H,1-3H3,(H2,21,22)
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Array Biopharma Inc.

US Patent




US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350079
PNG
(US10208024, Example 78 | US10766881, Example 78)
Show SMILES COCCN1CC(C1)n1cc(cn1)-c1cnc(N)c(n1)-c1cc(C)c(=O)n(n1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-12.69,-4.21,;-11.92,-2.87,;-10.38,-2.87,;-9.61,-1.54,;-8.07,-1.54,;-6.98,-.45,;-5.89,-1.54,;-6.98,-2.63,;-4.35,-1.54,;-3.45,-.29,;-1.98,-.77,;-1.98,-2.31,;-3.45,-2.79,;-.65,,;-.65,1.54,;.69,2.31,;2.02,1.54,;3.35,2.31,;2.02,,;.69,-.77,;3.35,-.77,;3.35,-2.31,;4.69,-3.08,;4.69,-4.62,;6.02,-2.31,;7.35,-3.08,;6.02,-.77,;4.69,,;7.35,,;8.69,-.77,;8.69,-2.31,;10.02,,;11.36,-.77,;12.69,,;10.02,1.54,;8.69,2.31,;8.69,3.85,;10.02,4.62,;7.35,1.54,;6.02,2.31,)|
Show InChI InChI=1S/C26H28Cl2N8O4/c1-14-7-17(33-36(26(14)37)24-21(27)19(39-3)8-20(40-4)22(24)28)23-25(29)30-10-18(32-23)15-9-31-35(11-15)16-12-34(13-16)5-6-38-2/h7-11,16H,5-6,12-13H2,1-4H3,(H2,29,30)
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Array Biopharma Inc.

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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350030
PNG
(US10208024, Example 29 | US10766881, Example 29)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C[C@H]2CNC3(CC3)CO2)c1 |r|
Show InChI InChI=1S/C26H28N8O4/c1-36-18-7-17(8-19(9-18)37-2)34-23(35)4-3-21(32-34)24-25(27)28-12-22(31-24)16-10-30-33(13-16)14-20-11-29-26(5-6-26)15-38-20/h3-4,7-10,12-13,20,29H,5-6,11,14-15H2,1-2H3,(H2,27,28)/t20-/m1/s1
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350035
PNG
(US10208024, Example 34 | US10766881, Example 34)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCN(CCOC(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N8O4/c1-40-20-11-19(12-21(13-20)41-2)38-24(39)4-3-22(35-38)25-26(31)32-15-23(34-25)17-14-33-37(16-17)18-5-7-36(8-6-18)9-10-42-27(28,29)30/h3-4,11-16,18H,5-10H2,1-2H3,(H2,31,32)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350016
PNG
(6-(3-amino-6-(1- isopropyl-1H-pyrazol- 4-yl)pyrazi...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C22H23N7O3/c1-13(2)28-12-14(10-25-28)19-11-24-22(23)21(26-19)18-5-6-20(30)29(27-18)15-7-16(31-3)9-17(8-15)32-4/h5-13H,1-4H3,(H2,23,24)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350077
PNG
(US10208024, Example 76 | US10766881, Example 76)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(cc(C)c1=O)-c1nc(cnc1N)-c1cnn(CCN(C)C)c1 |(10.83,,;9.5,-.77,;8.16,,;8.16,1.54,;6.83,2.31,;6.83,3.85,;8.16,4.62,;5.5,1.54,;4.16,2.31,;5.5,,;6.83,-.77,;6.83,-2.31,;4.16,-.77,;2.83,,;1.49,-.77,;1.49,-2.31,;2.83,-3.08,;2.83,-4.62,;4.16,-2.31,;5.5,-3.08,;.16,,;-1.17,-.77,;-2.51,,;-2.51,1.54,;-1.17,2.31,;.16,1.54,;1.49,2.31,;-3.84,-.77,;-3.84,-2.31,;-5.31,-2.79,;-6.21,-1.54,;-7.75,-1.54,;-8.52,-2.87,;-10.06,-2.87,;-10.83,-4.21,;-10.83,-1.54,;-5.31,-.29,)|
Show InChI InChI=1S/C24H26Cl2N8O3/c1-13-8-15(31-34(24(13)35)22-19(25)17(36-4)9-18(37-5)20(22)26)21-23(27)28-11-16(30-21)14-10-29-33(12-14)7-6-32(2)3/h8-12H,6-7H2,1-5H3,(H2,27,28)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350053
PNG
(US10208024, Example 52 | US10766881, Example 52)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1nc(cc(C)c1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H29N9O2/c1-15-4-5-17(25(36)28-3)11-22(15)35-26(37)16(2)10-20(33-35)23-24(27)30-13-21(32-23)18-12-31-34(14-18)19-6-8-29-9-7-19/h4-5,10-14,19,29H,6-9H2,1-3H3,(H2,27,30)(H,28,36)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350024
PNG
(US10208024, Example 23 | US10766881, Example 23)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C)c1 |(4.62,3.85,;5.96,3.08,;5.96,1.54,;7.29,.77,;7.29,-.77,;8.62,-1.54,;8.62,-3.08,;5.96,-1.54,;5.96,-3.08,;4.62,-.77,;4.62,.77,;3.29,1.54,;3.29,-1.54,;1.95,-.77,;.62,-1.54,;.62,-3.08,;1.95,-3.85,;3.29,-3.08,;4.62,-3.85,;-.71,-.77,;-2.05,-1.54,;-3.38,-.77,;-3.38,.77,;-2.05,1.54,;-.71,.77,;.62,1.54,;-4.71,-1.54,;-4.71,-3.08,;-6.18,-3.56,;-7.08,-2.31,;-8.62,-2.31,;-6.18,-1.06,)|
Show InChI InChI=1S/C20H17Cl2N7O3/c1-28-9-10(7-25-28)12-8-24-20(23)18(26-12)11-4-5-15(30)29(27-11)19-16(21)13(31-2)6-14(32-3)17(19)22/h4-9H,1-3H3,(H2,23,24)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350017
PNG
(6-(3-amino-6-(1- (pentan-3-yl)-1H- pyrazol-4-yl)py...)
Show SMILES CCC(CC)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C24H27N7O3/c1-5-16(6-2)30-14-15(12-27-30)21-13-26-24(25)23(28-21)20-7-8-22(32)31(29-20)17-9-18(33-3)11-19(10-17)34-4/h7-14,16H,5-6H2,1-4H3,(H2,25,26)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350058
PNG
(US10208024, Example 57 | US10766881, Example 57)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(C)c1 |(4.62,3.85,;5.96,3.08,;5.96,1.54,;7.29,.77,;7.29,-.77,;8.62,-1.54,;8.62,-3.08,;5.96,-1.54,;5.96,-3.08,;4.62,-.77,;4.62,.77,;3.29,1.54,;3.29,-1.54,;1.95,-.77,;.62,-1.54,;.62,-3.08,;1.95,-3.85,;3.29,-3.08,;4.62,-3.85,;-.71,-.77,;-2.05,-1.54,;-3.38,-.77,;-3.38,.77,;-2.05,1.54,;-.71,.77,;.62,1.54,;-4.71,-1.54,;-4.71,-3.08,;-6.18,-3.56,;-7.08,-2.31,;-8.62,-2.31,;-6.18,-1.06,)|
Show InChI InChI=1S/C21H18Cl2N6O3/c1-28-10-12(9-26-28)11-6-13(21(24)25-8-11)14-4-5-17(30)29(27-14)20-18(22)15(31-2)7-16(32-3)19(20)23/h4-10H,1-3H3,(H2,24,25)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350037
PNG
(US10208024, Example 36 | US10766881, Example 36)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N8O3/c1-39-19-9-18(10-20(11-19)40-2)37-23(38)4-3-21(34-37)24-25(30)31-13-22(33-24)16-12-32-36(14-16)17-5-7-35(8-6-17)15-26(27,28)29/h3-4,9-14,17H,5-8,15H2,1-2H3,(H2,30,31)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350078
PNG
(US10208024, Example 77 | US10766881, Example 77)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(cc(C)c1=O)-c1nc(cnc1N)-c1cnn(c1)C1CNC1 |(10.38,,;9.05,-.77,;7.71,,;7.71,1.54,;6.38,2.31,;6.38,3.85,;7.71,4.62,;5.04,1.54,;3.71,2.31,;5.04,,;6.38,-.77,;6.38,-2.31,;3.71,-.77,;2.38,,;1.04,-.77,;1.04,-2.31,;2.38,-3.08,;2.38,-4.62,;3.71,-2.31,;5.04,-3.08,;-.29,,;-1.62,-.77,;-2.96,,;-2.96,1.54,;-1.62,2.31,;-.29,1.54,;1.04,2.31,;-4.29,-.77,;-4.29,-2.31,;-5.76,-2.79,;-6.66,-1.54,;-5.76,-.29,;-8.2,-1.54,;-9.29,-.45,;-10.38,-1.54,;-9.29,-2.63,)|
Show InChI InChI=1S/C23H22Cl2N8O3/c1-11-4-14(31-33(23(11)34)21-18(24)16(35-2)5-17(36-3)19(21)25)20-22(26)28-9-15(30-20)12-6-29-32(10-12)13-7-27-8-13/h4-6,9-10,13,27H,7-8H2,1-3H3,(H2,26,28)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350080
PNG
(US10208024, Example 79 | US10766881, Example 79)
Show SMILES CCOCCN1CC(C1)n1cc(cn1)-c1cnc(N)c(n1)-c1cc(C)c(=O)n(n1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-13.46,-4.21,;-11.92,-4.21,;-11.15,-2.87,;-9.61,-2.87,;-8.84,-1.54,;-7.3,-1.54,;-6.21,-.45,;-5.12,-1.54,;-6.21,-2.63,;-3.58,-1.54,;-2.68,-.29,;-1.21,-.77,;-1.21,-2.31,;-2.68,-2.79,;.12,,;.12,1.54,;1.46,2.31,;2.79,1.54,;4.12,2.31,;2.79,,;1.46,-.77,;4.12,-.77,;4.12,-2.31,;5.46,-3.08,;5.46,-4.62,;6.79,-2.31,;8.12,-3.08,;6.79,-.77,;5.46,,;8.12,,;9.46,-.77,;9.46,-2.31,;10.79,,;12.13,-.77,;13.46,,;10.79,1.54,;9.46,2.31,;9.46,3.85,;10.79,4.62,;8.12,1.54,;6.79,2.31,)|
Show InChI InChI=1S/C27H30Cl2N8O4/c1-5-41-7-6-35-13-17(14-35)36-12-16(10-32-36)19-11-31-26(30)24(33-19)18-8-15(2)27(38)37(34-18)25-22(28)20(39-3)9-21(40-4)23(25)29/h8-12,17H,5-7,13-14H2,1-4H3,(H2,30,31)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350056
PNG
(US10208024, Example 55 | US10766881, Example 55)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C26H29N7O3/c1-31-8-6-19(7-9-31)32-16-18(15-29-32)17-10-23(26(27)28-14-17)24-4-5-25(34)33(30-24)20-11-21(35-2)13-22(12-20)36-3/h4-5,10-16,19H,6-9H2,1-3H3,(H2,27,28)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350007
PNG
(2-(4-(5-amino-6-(1- (3,5- dimethoxyphenyl)-6- oxo-...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C(C)(C)C#N
Show InChI InChI=1S/C23H22N8O3/c1-23(2,13-24)30-12-14(10-27-30)19-11-26-22(25)21(28-19)18-5-6-20(32)31(29-18)15-7-16(33-3)9-17(8-15)34-4/h5-12H,1-4H3,(H2,25,26)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350068
PNG
(US10208024, Example 67 | US10766881, Example 67)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1ccc(=O)n(n1)-c1cc(OC)cc(OC)c1C
Show InChI InChI=1S/C28H34N8O4/c1-18-24(13-21(39-3)14-25(18)40-4)36-26(37)6-5-22(33-36)27-28(29)30-16-23(32-27)19-15-31-35(17-19)20-7-9-34(10-8-20)11-12-38-2/h5-6,13-17,20H,7-12H2,1-4H3,(H2,29,30)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350008
PNG
(6-(3-amino-6-(1-(1- hydroxy-2- methylpropan-2-yl)-...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(c1)C(C)(C)CO
Show InChI InChI=1S/C23H25N7O4/c1-23(2,13-31)29-12-14(10-26-29)19-11-25-22(24)21(27-19)18-5-6-20(32)30(28-18)15-7-16(33-3)9-17(8-15)34-4/h5-12,31H,13H2,1-4H3,(H2,24,25)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350026
PNG
(US10208024, Example 25 | US10766881, Example 25)
Show SMILES COc1cc(OC)c(Br)c(c1Br)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(C)c1 |(4.62,3.85,;5.96,3.08,;5.96,1.54,;7.29,.77,;7.29,-.77,;8.62,-1.54,;8.62,-3.08,;5.96,-1.54,;5.96,-3.08,;4.62,-.77,;4.62,.77,;3.29,1.54,;3.29,-1.54,;1.95,-.77,;.62,-1.54,;.62,-3.08,;1.95,-3.85,;3.29,-3.08,;4.62,-3.85,;-.71,-.77,;-2.05,-1.54,;-3.38,-.77,;-3.38,.77,;-2.05,1.54,;-.71,.77,;.62,1.54,;-4.71,-1.54,;-4.71,-3.08,;-6.18,-3.56,;-7.08,-2.31,;-8.62,-2.31,;-6.18,-1.06,)|
Show InChI InChI=1S/C20H17Br2N7O3/c1-28-9-10(7-25-28)12-8-24-20(23)18(26-12)11-4-5-15(30)29(27-11)19-16(21)13(31-2)6-14(32-3)17(19)22/h4-9H,1-3H3,(H2,23,24)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350060
PNG
(US10208024, Example 59 | US10766881, Example 59)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-n1nc(ccc1=O)-c1cc(cnc1N)-c1cnn(c1)C1CCN(C)CC1 |(6.83,3.85,;8.16,3.08,;8.16,1.54,;9.49,.77,;9.49,-.77,;10.83,-1.54,;10.83,-3.08,;8.16,-1.54,;8.16,-3.08,;6.83,-.77,;6.83,.77,;5.49,1.54,;5.49,-1.54,;4.16,-.77,;2.83,-1.54,;2.83,-3.08,;4.16,-3.85,;5.49,-3.08,;6.83,-3.85,;1.49,-.77,;.16,-1.54,;-1.17,-.77,;-1.17,.77,;.16,1.54,;1.49,.77,;2.83,1.54,;-2.51,-1.54,;-2.51,-3.08,;-3.97,-3.56,;-4.88,-2.31,;-3.97,-1.06,;-6.37,-1.91,;-6.76,-.42,;-8.25,-.03,;-9.34,-1.11,;-10.83,-.72,;-8.94,-2.6,;-7.45,-3,)|
Show InChI InChI=1S/C26H27Cl2N7O3/c1-33-8-6-17(7-9-33)34-14-16(13-31-34)15-10-18(26(29)30-12-15)19-4-5-22(36)35(32-19)25-23(27)20(37-2)11-21(38-3)24(25)28/h4-5,10-14,17H,6-9H2,1-3H3,(H2,29,30)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350022
PNG
(6-(3-amino-6-(1- isobutyl-1H-pyrazol- 4-yl)pyrazin...)
Show SMILES COc1cc(OC)cc(c1)-n1nc(ccc1=O)-c1nc(cnc1N)-c1cnn(CC(C)C)c1
Show InChI InChI=1S/C23H25N7O3/c1-14(2)12-29-13-15(10-26-29)20-11-25-23(24)22(27-20)19-5-6-21(31)30(28-19)16-7-17(32-3)9-18(8-16)33-4/h5-11,13-14H,12H2,1-4H3,(H2,24,25)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350057
PNG
(US10208024, Example 56 | US10766881, Example 56)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)-c1ccc(=O)n(n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H33N7O4/c1-37-11-10-33-8-6-21(7-9-33)34-18-20(17-31-34)19-12-25(28(29)30-16-19)26-4-5-27(36)35(32-26)22-13-23(38-2)15-24(14-22)39-3/h4-5,12-18,21H,6-11H2,1-3H3,(H2,29,30)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2 [403-822]


(Homo sapiens (Human))
BDBM350067
PNG
(US10208024, Example 66 | US10766881, Example 66)
Show SMILES COCCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1cc(C)c(=O)n(n1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-13.33,-1.72,;-12.24,-.64,;-10.75,-1.03,;-9.66,.05,;-8.17,-.34,;-7.09,.74,;-5.6,.35,;-5.2,-1.14,;-6.29,-2.23,;-7.78,-1.83,;-3.71,-1.54,;-2.81,-.29,;-1.34,-.77,;-1.34,-2.31,;-2.81,-2.79,;-.01,,;-.01,1.54,;1.32,2.31,;2.66,1.54,;3.99,2.31,;2.66,,;1.32,-.77,;3.99,-.77,;3.99,-2.31,;5.33,-3.08,;5.33,-4.62,;6.66,-2.31,;7.99,-3.08,;6.66,-.77,;5.33,,;7.99,,;9.33,-.77,;9.33,-2.31,;10.66,,;11.99,-.77,;13.33,,;10.66,1.54,;9.33,2.31,;9.33,3.85,;10.66,4.62,;7.99,1.54,;6.66,2.31,)|
Show InChI InChI=1S/C28H32Cl2N8O4/c1-16-11-19(35-38(28(16)39)26-23(29)21(41-3)12-22(42-4)24(26)30)25-27(31)32-14-20(34-25)17-13-33-37(15-17)18-5-7-36(8-6-18)9-10-40-2/h11-15,18H,5-10H2,1-4H3,(H2,31,32)
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US Patent US10766881 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ693Q
More data for this
Ligand-Target Pair
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