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Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'ramphal' and Initial = 'jy'   
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
Selectin E


(Homo sapiens (Human))
BDBM50051836
PNG
(CHEMBL2368519 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C48H70N2O28.Na/c1-4-69-44-35(64)40(31(60)24(14-52)71-44)76-43-28(50-42(66)21-10-9-19-7-5-6-8-20(19)11-21)39(75-45-34(63)33(62)29(58)17(2)70-45)37(26(16-54)73-43)74-46-36(65)41(32(61)25(15-53)72-46)78-48(47(67)68)12-22(56)27(49-18(3)55)38(77-48)30(59)23(57)13-51;/h5-11,17,22-41,43-46,51-54,56-65H,4,12-16H2,1-3H3,(H,49,55)(H,50,66)(H,67,68);/q;+1/p-1/t17-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,43-,44+,45-,46-,48-;/m0./s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50051833
PNG
(CHEMBL2368521 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)c3ccccc3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C44H68N2O28.Na/c1-4-65-40-31(60)36(27(56)20(12-48)67-40)72-39-24(46-38(62)17-8-6-5-7-9-17)35(71-41-30(59)29(58)25(54)15(2)66-41)33(22(14-50)69-39)70-42-32(61)37(28(57)21(13-49)68-42)74-44(43(63)64)10-18(52)23(45-16(3)51)34(73-44)26(55)19(53)11-47;/h5-9,15,18-37,39-42,47-50,52-61H,4,10-14H2,1-3H3,(H,45,51)(H,46,62)(H,63,64);/q;+1/p-1/t15-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-;/m0./s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50051835
PNG
(CHEMBL2368520 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C39H66N2O28.Na/c1-5-60-35-27(56)32(23(52)16(8-43)62-35)67-34-20(41-13(4)47)31(66-36-26(55)25(54)21(50)11(2)61-36)29(18(10-45)64-34)65-37-28(57)33(24(53)17(9-44)63-37)69-39(38(58)59)6-14(48)19(40-12(3)46)30(68-39)22(51)15(49)7-42;/h11,14-37,42-45,48-57H,5-10H2,1-4H3,(H,40,46)(H,41,47)(H,58,59);/q;+1/p-1/t11-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,39-;/m0./s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50051834
PNG
(CHEMBL2368518 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)C3CCCCC3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C44H74N2O28.Na/c1-4-65-40-31(60)36(27(56)20(12-48)67-40)72-39-24(46-38(62)17-8-6-5-7-9-17)35(71-41-30(59)29(58)25(54)15(2)66-41)33(22(14-50)69-39)70-42-32(61)37(28(57)21(13-49)68-42)74-44(43(63)64)10-18(52)23(45-16(3)51)34(73-44)26(55)19(53)11-47;/h15,17-37,39-42,47-50,52-61H,4-14H2,1-3H3,(H,45,51)(H,46,62)(H,63,64);/q;+1/p-1/t15-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-;/m0./s1
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n/an/a 2.90E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50030250
PNG
(CHEMBL116203 | pentasaccharide (arabinose))
Show SMILES CCOC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4(CC(O)C(NC(C)=O)C(O4)[C@H](O)[C@H](O)CO)C(=O)ON)C3O)C(OC3OCC(O)C(O)C3O)C2NC(C)=O)C1O
Show InChI InChI=1S/C38H65N3O28/c1-4-59-35-26(56)31(23(53)16(7-43)61-35)66-33-20(41-12(3)47)30(65-34-25(55)21(51)15(50)10-60-34)28(18(9-45)63-33)64-36-27(57)32(24(54)17(8-44)62-36)68-38(37(58)69-39)5-13(48)19(40-11(2)46)29(67-38)22(52)14(49)6-42/h13-36,42-45,48-57H,4-10,39H2,1-3H3,(H,40,46)(H,41,47)/t13?,14-,15?,16?,17?,18?,19?,20?,21?,22-,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,38?/m1/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of cell adhesion of HL-60 containing SLeX to purified recombinant human E-selectin


J Med Chem 37: 3459-63 (1994)


BindingDB Entry DOI: 10.7270/Q2862FGK
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168437
PNG
(US9675593, 10)
Show SMILES CC(C)Oc1ccc(cc1)-n1cc(ccc1=O)C(C)=O
Show InChI InChI=1S/C16H17NO3/c1-11(2)20-15-7-5-14(6-8-15)17-10-13(12(3)18)4-9-16(17)19/h4-11H,1-3H3
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168438
PNG
(US9675593, 11)
Show SMILES CC(=O)c1ccc(=O)n(c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c1-9(19)10-5-6-13(20)18(8-10)12-4-2-3-11(7-12)14(15,16)17/h2-8H,1H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168439
PNG
(US9675593, 12)
Show SMILES CC(=O)c1ccc(=O)n(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClNO2/c1-9(16)10-2-7-13(17)15(8-10)12-5-3-11(14)4-6-12/h2-8H,1H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168440
PNG
(US9675593, 13)
Show SMILES CC(=O)c1ccc(=O)n(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10FNO2/c1-9(16)10-2-7-13(17)15(8-10)12-5-3-11(14)4-6-12/h2-8H,1H3
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168441
PNG
(US9675593, 14)
Show SMILES COc1cccc(c1)-n1cc(ccc1=O)C(C)=O
Show InChI InChI=1S/C14H13NO3/c1-10(16)11-6-7-14(17)15(9-11)12-4-3-5-13(8-12)18-2/h3-9H,1-2H3
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168442
PNG
(US9675593, 15)
Show SMILES CC(=O)c1ccc(=O)n(c1)-c1cccc(F)c1
Show InChI InChI=1S/C13H10FNO2/c1-9(16)10-5-6-13(17)15(8-10)12-4-2-3-11(14)7-12/h2-8H,1H3
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168444
PNG
(US9675593, 17)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(ccc1=O)C(C)=O
Show InChI InChI=1S/C16H17NO3/c1-4-20-14-6-7-15(11(2)9-14)17-10-13(12(3)18)5-8-16(17)19/h5-10H,4H2,1-3H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168450
PNG
(US9675593, 18)
Show SMILES CC(=O)Nc1cccc(c1)-n1cc(ccc1=O)C(C)=O
Show InChI InChI=1S/C15H14N2O3/c1-10(18)12-6-7-15(20)17(9-12)14-5-3-4-13(8-14)16-11(2)19/h3-9H,1-2H3,(H,16,19)
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168451
PNG
(US9675593, 19)
Show SMILES CC(=O)c1ccc(=O)n(c1)-c1ccccc1Cl
Show InChI InChI=1S/C13H10ClNO2/c1-9(16)10-6-7-13(17)15(8-10)12-5-3-2-4-11(12)14/h2-8H,1H3
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n/an/an/an/a 1.25E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168452
PNG
(US9675593, 21)
Show SMILES COCCOCCOCCOc1ccc(cc1)-n1cc(C)ccc1=O
Show InChI InChI=1S/C19H25NO5/c1-16-3-8-19(21)20(15-16)17-4-6-18(7-5-17)25-14-13-24-12-11-23-10-9-22-2/h3-8,15H,9-14H2,1-2H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168453
PNG
(US9675593, 22)
Show SMILES COCCOCCOCCOc1cccc(c1)-n1cc(C)ccc1=O
Show InChI InChI=1S/C19H25NO5/c1-16-6-7-19(21)20(15-16)17-4-3-5-18(14-17)25-13-12-24-11-10-23-9-8-22-2/h3-7,14-15H,8-13H2,1-2H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168454
PNG
(US9675593, 23)
Show SMILES COCCOc1ccc(cc1)-n1cc(c(C)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FNO3/c1-15-13-21(24)23(14-20(15)16-3-5-17(22)6-4-16)18-7-9-19(10-8-18)26-12-11-25-2/h3-10,13-14H,11-12H2,1-2H3
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 1.25E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168462
PNG
(US9675593, 24)
Show SMILES COCCOc1ccc(cc1)-n1cc(-c2cn[nH]c2)c(C)cc1=O
Show InChI InChI=1S/C18H19N3O3/c1-13-9-18(22)21(12-17(13)14-10-19-20-11-14)15-3-5-16(6-4-15)24-8-7-23-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,20)
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168465
PNG
(US9675593, 25)
Show SMILES COCCOc1ccc(cc1)-n1cc(-c2cnn(C)c2)c(C)cc1=O
Show InChI InChI=1S/C19H21N3O3/c1-14-10-19(23)22(13-18(14)15-11-20-21(2)12-15)16-4-6-17(7-5-16)25-9-8-24-3/h4-7,10-13H,8-9H2,1-3H3
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168466
PNG
(US9675593, 26)
Show SMILES COCCOc1ccc(cc1)-n1cc(c(C)cc1=O)-c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-16-14-21(23)22(15-20(16)17-6-4-3-5-7-17)18-8-10-19(11-9-18)25-13-12-24-2/h3-11,14-15H,12-13H2,1-2H3
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n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168467
PNG
(US9675593, 27)
Show SMILES O=c1ccc2CCCc2n1-c1ccccc1
Show InChI InChI=1S/C14H13NO/c16-14-10-9-11-5-4-8-13(11)15(14)12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8H2
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168468
PNG
(US9675593, 28)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1c2CCCc2ccc1=O
Show InChI InChI=1S/C15H12F3NO2/c16-15(17,18)21-12-7-5-11(6-8-12)19-13-3-1-2-10(13)4-9-14(19)20/h4-9H,1-3H2
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n/an/an/an/a 1.25E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168469
PNG
(US9675593, 29)
Show SMILES Cc1cn(-c2ccccc2)c(=O)c2CCCCc12
Show InChI InChI=1S/C16H17NO/c1-12-11-17(13-7-3-2-4-8-13)16(18)15-10-6-5-9-14(12)15/h2-4,7-8,11H,5-6,9-10H2,1H3
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n/an/an/an/a 1.25E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168470
PNG
(US9675593, 31)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccccc2)c(=O)c2CCCCc12
Show InChI InChI=1S/C19H19N3O/c1-21-12-14(11-20-21)18-13-22(15-7-3-2-4-8-15)19(23)17-10-6-5-9-16(17)18/h2-4,7-8,11-13H,5-6,9-10H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168471
PNG
(US9675593, 32)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2CCCCc12
Show InChI InChI=1S/C22H17F4NO2/c23-15-7-5-14(6-8-15)20-13-27(21(28)19-4-2-1-3-18(19)20)16-9-11-17(12-10-16)29-22(24,25)26/h5-13H,1-4H2
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168472
PNG
(US9675593, 33)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2CCCCc12
Show InChI InChI=1S/C20H18F3N3O2/c1-25-11-13(10-24-25)18-12-26(19(27)17-5-3-2-4-16(17)18)14-6-8-15(9-7-14)28-20(21,22)23/h6-12H,2-5H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168473
PNG
(US9675593, 34)
Show SMILES Fc1cccc(c1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2CCCCc12
Show InChI InChI=1S/C22H17F4NO2/c23-15-5-3-4-14(12-15)20-13-27(21(28)19-7-2-1-6-18(19)20)16-8-10-17(11-9-16)29-22(24,25)26/h3-5,8-13H,1-2,6-7H2
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n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168474
PNG
(US9675593, 35)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c2CCCCc2c1=O
Show InChI InChI=1S/C22H25N3O2/c1-4-27-17-9-10-21(15(2)11-17)25-14-20(16-12-23-24(3)13-16)18-7-5-6-8-19(18)22(25)26/h9-14H,4-8H2,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168476
PNG
(US9675593, 36)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cn[nH]c2)c2CCCCc2c1=O
Show InChI InChI=1S/C21H23N3O2/c1-3-26-16-8-9-20(14(2)10-16)24-13-19(15-11-22-23-12-15)17-6-4-5-7-18(17)21(24)25/h8-13H,3-7H2,1-2H3,(H,22,23)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168477
PNG
(US9675593, 37)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1cc(-c2cn[nH]c2)c2CCCCc2c1=O
Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)27-14-7-5-13(6-8-14)25-11-17(12-9-23-24-10-12)15-3-1-2-4-16(15)18(25)26/h5-11H,1-4H2,(H,23,24)
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n/an/an/an/a 1.25E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168478
PNG
(US9675593, 38)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C22H11F7N2O2/c23-13-3-1-12(2-4-13)17-11-31(14-5-7-15(8-6-14)33-22(27,28)29)20(32)16-9-10-18(21(24,25)26)30-19(16)17/h1-11H
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168479
PNG
(US9675593, 39)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C20H12F6N4O2/c1-29-9-11(8-27-29)15-10-30(12-2-4-13(5-3-12)32-20(24,25)26)18(31)14-6-7-16(19(21,22)23)28-17(14)15/h2-10H,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168480
PNG
(US9675593, 40)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nsnc12
Show InChI InChI=1S/C18H9F4N3O2S/c19-11-3-1-10(2-4-11)14-9-25(17(26)16-15(14)23-28-24-16)12-5-7-13(8-6-12)27-18(20,21)22/h1-9H
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168481
PNG
(US9675593, 42)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2cccnc12
Show InChI InChI=1S/C21H12F4N2O2/c22-14-5-3-13(4-6-14)18-12-27(20(28)17-2-1-11-26-19(17)18)15-7-9-16(10-8-15)29-21(23,24)25/h1-12H
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168482
PNG
(US9675593, 43)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2cccnc12
Show InChI InChI=1S/C19H13F3N4O2/c1-25-10-12(9-24-25)16-11-26(18(27)15-3-2-8-23-17(15)16)13-4-6-14(7-5-13)28-19(20,21)22/h2-11H,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168483
PNG
(US9675593, 44)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2CCCNc12
Show InChI InChI=1S/C19H17F3N4O2/c1-25-10-12(9-24-25)16-11-26(18(27)15-3-2-8-23-17(15)16)13-4-6-14(7-5-13)28-19(20,21)22/h4-7,9-11,23H,2-3,8H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168484
PNG
(US9675593, 45)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2CCCNc12
Show InChI InChI=1S/C21H16F4N2O2/c22-14-5-3-13(4-6-14)18-12-27(20(28)17-2-1-11-26-19(17)18)15-7-9-16(10-8-15)29-21(23,24)25/h3-10,12,26H,1-2,11H2
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168485
PNG
(US9675593, 46)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nccnc12
Show InChI InChI=1S/C20H11F4N3O2/c21-13-3-1-12(2-4-13)16-11-27(19(28)18-17(16)25-9-10-26-18)14-5-7-15(8-6-14)29-20(22,23)24/h1-11H
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168486
PNG
(US9675593, 47)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nccnc12
Show InChI InChI=1S/C18H12F3N5O2/c1-25-9-11(8-24-25)14-10-26(17(27)16-15(14)22-6-7-23-16)12-2-4-13(5-3-12)28-18(19,20)21/h2-10H,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168487
PNG
(US9675593, 49)
Show SMILES Cc1cn(C)c2c1c(cn(-c1ccc(OC(F)(F)F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16F4N2O2/c1-13-11-27(2)20-19(13)18(14-3-5-15(23)6-4-14)12-28(21(20)29)16-7-9-17(10-8-16)30-22(24,25)26/h3-12H,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168488
PNG
(US9675593, 50)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2N(Cc3ccccc3)C(=O)COc12
Show InChI InChI=1S/C25H19F3N4O4/c1-30-13-17(11-29-30)20-14-31(18-7-9-19(10-8-18)36-25(26,27)28)24(34)22-23(20)35-15-21(33)32(22)12-16-5-3-2-4-6-16/h2-11,13-14H,12,15H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168489
PNG
(US9675593, 51)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2N(Cc3ccccc3)C(=O)COc12
Show InChI InChI=1S/C27H18F4N2O4/c28-19-8-6-18(7-9-19)22-15-32(20-10-12-21(13-11-20)37-27(29,30)31)26(35)24-25(22)36-16-23(34)33(24)14-17-4-2-1-3-5-17/h1-13,15H,14,16H2
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168490
PNG
(US9675593, 52)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2NC(=O)COc12
Show InChI InChI=1S/C20H12F4N2O4/c21-12-3-1-11(2-4-12)15-9-26(19(28)17-18(15)29-10-16(27)25-17)13-5-7-14(8-6-13)30-20(22,23)24/h1-9H,10H2,(H,25,27)
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n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168491
PNG
(US9675593, 53)
Show SMILES CN1C(=O)COc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14F4N2O4/c1-26-17(28)11-30-19-16(12-2-4-13(22)5-3-12)10-27(20(29)18(19)26)14-6-8-15(9-7-14)31-21(23,24)25/h2-10H,11H2,1H3
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US Patent
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168492
PNG
(US9675593, 54)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ncn(Cc3ccccc3)c12
Show InChI InChI=1S/C26H17F4N3O2/c27-19-8-6-18(7-9-19)22-15-33(20-10-12-21(13-11-20)35-26(28,29)30)25(34)23-24(22)32(16-31-23)14-17-4-2-1-3-5-17/h1-13,15-16H,14H2
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168493
PNG
(US9675593, 55)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ncn(Cc3ccccc3)c12
Show InChI InChI=1S/C24H18F3N5O2/c1-30-13-17(11-29-30)20-14-32(18-7-9-19(10-8-18)34-24(25,26)27)23(33)21-22(20)31(15-28-21)12-16-5-3-2-4-6-16/h2-11,13-15H,12H2,1H3
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168494
PNG
(US9675593, 56)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nc[nH]c12
Show InChI InChI=1S/C19H11F4N3O2/c20-12-3-1-11(2-4-12)15-9-26(18(27)17-16(15)24-10-25-17)13-5-7-14(8-6-13)28-19(21,22)23/h1-10H,(H,24,25)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168495
PNG
(US9675593, 57)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nc[nH]c12
Show InChI InChI=1S/C17H12F3N5O2/c1-24-7-10(6-23-24)13-8-25(16(26)15-14(13)21-9-22-15)11-2-4-12(5-3-11)27-17(18,19)20/h2-9H,1H3,(H,21,22)
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US Patent
n/an/an/an/a>2.00E+5n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168496
PNG
(US9675593, 58)
Show SMILES Cn1cnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H13F4N3O2/c1-26-11-25-17-16(12-2-4-13(21)5-3-12)10-27(19(28)18(17)26)14-6-8-15(9-7-14)29-20(22,23)24/h2-11H,1H3
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UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM168497
PNG
(US9675593, 59)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ncn(C)c12
Show InChI InChI=1S/C18H14F3N5O2/c1-24-10-22-15-16(24)14(11-7-23-25(2)8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,1-2H3
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PC cid
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UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
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