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Compile Data Set for Download or QSAR

Found 3196 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1'   
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
EDNRA


()
BDBM50045246
PNG
(Ac-D-Dip-Orn-Asp-Ile-Ile-Trp | CHEMBL2370066)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H64N8O10/c1-6-28(3)41(46(63)55-38(49(66)67)25-33-27-51-35-22-15-14-21-34(33)35)57-47(64)42(29(4)7-2)56-45(62)37(26-39(59)60)54-44(61)36(23-16-24-50)53-48(65)43(52-30(5)58)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,51H,6-7,16,23-26,50H2,1-5H3,(H,52,58)(H,53,65)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t28-,29-,36-,37-,38-,41-,42-,43+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50045264
PNG
(Ac-D-Dip-Leu-Asp-Val-Ile-Trp | CHEMBL315841)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50045263
PNG
(Ac-D-Dip-Glu-Asp-Ile-Ile-Trp | CHEMBL407269)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H61N7O12/c1-6-27(3)41(46(64)54-37(49(67)68)24-32-26-50-34-21-15-14-20-33(32)34)56-47(65)42(28(4)7-2)55-45(63)36(25-39(60)61)53-44(62)35(22-23-38(58)59)52-48(66)43(51-29(5)57)40(30-16-10-8-11-17-30)31-18-12-9-13-19-31/h8-21,26-28,35-37,40-43,50H,6-7,22-25H2,1-5H3,(H,51,57)(H,52,66)(H,53,62)(H,54,64)(H,55,63)(H,56,65)(H,58,59)(H,60,61)(H,67,68)/t27-,28-,35-,36-,37-,41-,42-,43+/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50045224
PNG
(Ac-D-Dip-Leu-Phe-Ile-Ile-Trp | CHEMBL387200)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49+/m0/s1
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n/an/an/an/a 580n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50045256
PNG
(CHEMBL2370067 | D-Dip-Leu-Asp-Ile-Ile-Trp)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C48H63N7O8/c1-7-29(5)42(47(62)51-34(27-56)24-33-26-50-36-22-16-15-21-35(33)36)55-48(63)43(30(6)8-2)54-45(60)38(25-39(57)58)52-44(59)37(23-28(3)4)53-46(61)41(49)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-30,34,37-38,40-43,50H,7-8,23-25,49H2,1-6H3,(H,51,62)(H,52,59)(H,53,61)(H,54,60)(H,55,63)(H,57,58)/t29-,30-,34-,37-,38-,41+,42-,43-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50045234
PNG
(Ac-D-Dip-Leu-Asp-Ile-Ile-Tyr | CHEMBL313344)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C48H64N6O11/c1-8-28(5)40(45(61)52-37(48(64)65)25-31-20-22-34(56)23-21-31)54-46(62)41(29(6)9-2)53-44(60)36(26-38(57)58)50-43(59)35(24-27(3)4)51-47(63)42(49-30(7)55)39(32-16-12-10-13-17-32)33-18-14-11-15-19-33/h10-23,27-29,35-37,39-42,56H,8-9,24-26H2,1-7H3,(H,49,55)(H,50,59)(H,51,63)(H,52,61)(H,53,60)(H,54,62)(H,57,58)(H,64,65)/t28-,29-,35-,36-,37-,40-,41-,42+/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50045249
PNG
(Ac-D-Dip-Leu-Asp-Ile-Val-Trp | CHEMBL86703)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)55-41(28(4)5)46(62)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,62)(H,55,63)(H,56,61)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin-1


(Human)
BDBM169981
PNG
(US9675593, 258)
Show SMILES Cc1cc(=O)n(cc1-c1ccc2ccn(C)c2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N2O2/c1-14-11-21(28)27(17-5-7-18(8-6-17)29-22(23,24)25)13-19(14)16-4-3-15-9-10-26(2)20(15)12-16/h3-13H,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


(Human)
BDBM169999
PNG
(US9675593, 263)
Show SMILES Cc1cc(=O)n(cc1-c1cccc2ncsc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H13F3N2O2S/c1-12-9-18(26)25(13-5-7-14(8-6-13)27-20(21,22)23)10-16(12)15-3-2-4-17-19(15)28-11-24-17/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


(Human)
BDBM168600
PNG
(US9675593, 151)
Show SMILES CN1CCC(CC1)Oc1cc(=O)n(cc1-c1cnn(C)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H23F3N4O3/c1-27-9-7-17(8-10-27)31-20-11-21(30)29(14-19(20)15-12-26-28(2)13-15)16-3-5-18(6-4-16)32-22(23,24)25/h3-6,11-14,17H,7-10H2,1-2H3
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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


(Human)
BDBM168623
PNG
(US9675593, 153)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1Oc1ccccc1
Show InChI InChI=1S/C22H16F3N3O3/c1-27-13-15(12-26-27)19-14-28(16-7-9-18(10-8-16)31-22(23,24)25)21(29)11-20(19)30-17-5-3-2-4-6-17/h2-14H,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


(Human)
BDBM168722
PNG
(US9675593, 157)
Show SMILES CCOc1ccc(Oc2cc(=O)n(cc2-c2cnn(C)c2)-c2ccc(OC(F)(F)F)cc2)cc1C#N
Show InChI InChI=1S/C25H19F3N4O4/c1-3-34-22-9-8-20(10-16(22)12-29)35-23-11-24(33)32(15-21(23)17-13-30-31(2)14-17)18-4-6-19(7-5-18)36-25(26,27)28/h4-11,13-15H,3H2,1-2H3
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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


(Human)
BDBM168779
PNG
(US9675593, 161)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1NCc1ccccn1
Show InChI InChI=1S/C22H18F3N5O2/c1-29-13-15(11-28-29)19-14-30(17-5-7-18(8-6-17)32-22(23,24)25)21(31)10-20(19)27-12-16-4-2-3-9-26-16/h2-11,13-14,27H,12H2,1H3
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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


(Human)
BDBM168781
PNG
(US9675593, 162)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(OC)cc1=O
Show InChI InChI=1S/C19H21N3O3/c1-5-25-15-6-7-17(13(2)8-15)22-12-16(14-10-20-21(3)11-14)18(24-4)9-19(22)23/h6-12H,5H2,1-4H3
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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


(Human)
BDBM168809
PNG
(US9675593, 163)
Show SMILES Cc1cc(=O)n(cc1-c1ccccc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3NO/c1-13-10-18(24)23(12-17(13)14-6-3-2-4-7-14)16-9-5-8-15(11-16)19(20,21)22/h2-12H,1H3
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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


(Human)
BDBM168811
PNG
(US9675593, 164)
Show SMILES Cc1cc(=O)n(cc1-c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H14F3NO2/c1-13-11-18(24)23(12-17(13)14-5-3-2-4-6-14)15-7-9-16(10-8-15)25-19(20,21)22/h2-12H,1H3
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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


(Human)
BDBM168975
PNG
(US9675593, 166)
Show SMILES Cc1cc(=O)n(cc1-c1ccccc1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H14F3NO2/c1-13-10-18(24)23(12-17(13)14-6-3-2-4-7-14)15-8-5-9-16(11-15)25-19(20,21)22/h2-12H,1H3
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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


(Human)
BDBM169214
PNG
(US9675593, 170)
Show SMILES Cc1cc(=O)n(cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H14F3NO/c1-13-11-18(24)23(12-17(13)14-5-3-2-4-6-14)16-9-7-15(8-10-16)19(20,21)22/h2-12H,1H3
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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


(Human)
BDBM169243
PNG
(US9675593, 174)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H13F4NO2/c1-12-9-18(25)24(11-17(12)13-5-7-14(20)8-6-13)15-3-2-4-16(10-15)26-19(21,22)23/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


(Human)
BDBM169516
PNG
(US9675593, 186)
Show SMILES Cc1cc(OC(F)(F)F)ccc1-n1cc(c(C)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15F4NO2/c1-12-10-19(26)25(11-17(12)14-3-5-15(21)6-4-14)18-8-7-16(9-13(18)2)27-20(22,23)24/h3-11H,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


(Human)
BDBM169529
PNG
(US9675593, 188)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1cccc(NC(N)=O)c1
Show InChI InChI=1S/C19H16FN3O2/c1-12-9-18(24)23(11-17(12)13-5-7-14(20)8-6-13)16-4-2-3-15(10-16)22-19(21)25/h2-11H,1H3,(H3,21,22,25)
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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


(Human)
BDBM169534
PNG
(US9675593, 192)
Show SMILES Cc1cc(=O)n(cc1-c1cccc(F)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13F4NO2/c1-12-9-18(25)24(11-17(12)13-3-2-4-14(20)10-13)15-5-7-16(8-6-15)26-19(21,22)23/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


(Human)
BDBM169536
PNG
(US9675593, 194)
Show SMILES Cc1cc(=O)n(cc1-c1ccccc1F)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13F4NO2/c1-12-10-18(25)24(11-16(12)15-4-2-3-5-17(15)20)13-6-8-14(9-7-13)26-19(21,22)23/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


(Human)
BDBM169538
PNG
(US9675593, 195)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)c(Cl)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H12ClF4NO2/c1-11-8-18(26)25(10-15(11)12-2-7-17(21)16(20)9-12)13-3-5-14(6-4-13)27-19(22,23)24/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


(Human)
BDBM169562
PNG
(US9675593, 203)
Show SMILES Cc1cc(=O)n(cc1-c1cccc2OCOc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H14F3NO4/c1-12-9-18(25)24(13-5-7-14(8-6-13)28-20(21,22)23)10-16(12)15-3-2-4-17-19(15)27-11-26-17/h2-10H,11H2,1H3
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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


(Human)
BDBM169566
PNG
(US9675593, 204)
Show SMILES Cc1cc(=O)n(cc1-c1cccc2OCCOc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3NO4/c1-13-11-19(26)25(14-5-7-15(8-6-14)29-21(22,23)24)12-17(13)16-3-2-4-18-20(16)28-10-9-27-18/h2-8,11-12H,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


(Human)
BDBM168520
PNG
(US9675593, 79)
Show SMILES Fc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)c1
Show InChI InChI=1S/C18H14FNO/c19-17-9-6-15(7-10-17)16-8-11-18(21)20(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
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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


(Human)
BDBM168529
PNG
(US9675593, 87)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1Cl
Show InChI InChI=1S/C18H10ClF4NO2/c19-16-9-17(25)24(10-15(16)11-1-3-12(20)4-2-11)13-5-7-14(8-6-13)26-18(21,22)23/h1-10H
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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


(Human)
BDBM168537
PNG
(US9675593, 93)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1OCCN1CCCC1
Show InChI InChI=1S/C24H22F4N2O3/c25-18-5-3-17(4-6-18)21-16-30(19-7-9-20(10-8-19)33-24(26,27)28)23(31)15-22(21)32-14-13-29-11-1-2-12-29/h3-10,15-16H,1-2,11-14H2
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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


(Human)
BDBM168539
PNG
(US9675593, 95)
Show SMILES CN1CCC(CC1)Oc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H22F4N2O3/c1-29-12-10-19(11-13-29)32-22-14-23(31)30(15-21(22)16-2-4-17(25)5-3-16)18-6-8-20(9-7-18)33-24(26,27)28/h2-9,14-15,19H,10-13H2,1H3
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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


(Human)
BDBM168544
PNG
(US9675593, 99)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1OC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H19F4NO5S/c24-16-3-1-15(2-4-16)20-14-28(17-5-7-19(8-6-17)33-23(25,26)27)22(29)13-21(20)32-18-9-11-34(30,31)12-10-18/h1-8,13-14,18H,9-12H2
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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


(Human)
BDBM168545
PNG
(US9675593, 100)
Show SMILES CN1CCN(CCOc2cc(=O)n(cc2-c2ccc(F)cc2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C25H25F4N3O3/c1-30-10-12-31(13-11-30)14-15-34-23-16-24(33)32(17-22(23)18-2-4-19(26)5-3-18)20-6-8-21(9-7-20)35-25(27,28)29/h2-9,16-17H,10-15H2,1H3
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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


(Human)
BDBM168562
PNG
(US9675593, 119)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(c(OC)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FNO3/c1-4-26-17-9-10-19(14(2)11-17)23-13-18(20(25-3)12-21(23)24)15-5-7-16(22)8-6-15/h5-13H,4H2,1-3H3
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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


(Human)
BDBM168563
PNG
(US9675593, 120)
Show SMILES COc1cc(=O)n(cc1-c1cnn(C)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H14F3N3O3/c1-22-9-11(8-21-22)14-10-23(16(24)7-15(14)25-2)12-3-5-13(6-4-12)26-17(18,19)20/h3-10H,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


(Human)
BDBM168566
PNG
(US9675593, 123)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1NCc1ccccc1
Show InChI InChI=1S/C23H19F3N4O2/c1-29-14-17(13-28-29)20-15-30(18-7-9-19(10-8-18)32-23(24,25)26)22(31)11-21(20)27-12-16-5-3-2-4-6-16/h2-11,13-15,27H,12H2,1H3
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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


(Human)
BDBM168569
PNG
(US9675593, 126)
Show SMILES CN(Cc1ccccc1)c1cc(=O)n(cc1-c1cnn(C)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H21F3N4O2/c1-29(14-17-6-4-3-5-7-17)22-12-23(32)31(16-21(22)18-13-28-30(2)15-18)19-8-10-20(11-9-19)33-24(25,26)27/h3-13,15-16H,14H2,1-2H3
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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


(Human)
BDBM168571
PNG
(US9675593, 128)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1N1CCOCC1
Show InChI InChI=1S/C20H19F3N4O3/c1-25-12-14(11-24-25)17-13-27(15-2-4-16(5-3-15)30-20(21,22)23)19(28)10-18(17)26-6-8-29-9-7-26/h2-5,10-13H,6-9H2,1H3
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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


(Human)
BDBM168581
PNG
(US9675593, 134)
Show SMILES COc1ccc(CNc2cc(=O)n(cc2-c2cnn(C)c2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H21F3N4O3/c1-30-14-17(13-29-30)21-15-31(18-5-9-20(10-6-18)34-24(25,26)27)23(32)11-22(21)28-12-16-3-7-19(33-2)8-4-16/h3-11,13-15,28H,12H2,1-2H3
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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


(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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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


(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


(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


(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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UniChem
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


(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


(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


(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


(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


(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


(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


(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


(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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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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