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Compile Data Set for Download or QSAR

Found 1535 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
Endothelin-1


(Homo sapiens (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
UniProtKB/SwissProt

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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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC sid
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))
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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)
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
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
UniProtKB/SwissProt

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PC cid
PC sid
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))
BDBM169588
PNG
(US9675593, 209)
Show SMILES Cc1cc(=O)n(cc1-c1ccc2OCC(=O)Nc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H15F3N2O4/c1-12-8-20(28)26(14-3-5-15(6-4-14)30-21(22,23)24)10-16(12)13-2-7-18-17(9-13)25-19(27)11-29-18/h2-10H,11H2,1H3,(H,25,27)
UniProtKB/SwissProt

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PC cid
PC sid
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))
BDBM169590
PNG
(US9675593, 210)
Show SMILES CN1C(=O)COc2ccc(cc12)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1C
Show InChI InChI=1S/C22H17F3N2O4/c1-13-9-20(28)27(15-4-6-16(7-5-15)31-22(23,24)25)11-17(13)14-3-8-19-18(10-14)26(2)21(29)12-30-19/h3-11H,12H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
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))
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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PC sid
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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))
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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PC sid
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))
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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PC cid
PC sid
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))
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
UniProtKB/SwissProt

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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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
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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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))
BDBM168501
PNG
(US9675593, 60)
Show SMILES CCn1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C20H17F3N4O2/c1-3-26-9-8-16-17(13-10-24-25(2)11-13)12-27(19(28)18(16)26)14-4-6-15(7-5-14)29-20(21,22)23/h4-12H,3H2,1-2H3
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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))
BDBM168503
PNG
(US9675593, 61)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(Br)c2nccnc2c1=O
Show InChI InChI=1S/C16H14BrN3O2/c1-3-22-11-4-5-13(10(2)8-11)20-9-12(17)14-15(16(20)21)19-7-6-18-14/h4-9H,3H2,1-2H3
UniProtKB/SwissProt

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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))
BDBM168506
PNG
(US9675593, 63)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c2nccnc2c1=O
Show InChI InChI=1S/C20H19N5O2/c1-4-27-15-5-6-17(13(2)9-15)25-12-16(14-10-23-24(3)11-14)18-19(20(25)26)22-8-7-21-18/h5-12H,4H2,1-3H3
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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))
BDBM168513
PNG
(US9675593, 73)
Show SMILES CCOC(=O)n1cc(cn1)-c1ccc(=O)n(c1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O3/c1-2-23-17(22)20-12-14(10-18-20)13-8-9-16(21)19(11-13)15-6-4-3-5-7-15/h3-12H,2H2,1H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
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
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
BDBM172521
PNG
(US9675593, 559)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccc(F)c(NC(N)=O)c1
Show InChI InChI=1S/C19H15F2N3O2/c1-11-8-18(25)24(10-15(11)12-2-4-13(20)5-3-12)14-6-7-16(21)17(9-14)23-19(22)26/h2-10H,1H3,(H3,22,23,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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))
BDBM172522
PNG
(US9675593, 562)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1c[nH]c(=O)cc1C
Show InChI InChI=1S/C15H14N2O3/c1-3-17-12-7-10(4-5-13(12)20-15(17)19)11-8-16-14(18)6-9(11)2/h4-8H,3H2,1-2H3,(H,16,18)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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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