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Patent code US9675593

Compile Data Set for Download or QSAR

Found 518 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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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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))		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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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))		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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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))		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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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))		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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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))		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))		BDBM168516
PNG
(US9675593, 74)
Show SMILES CCCCOC(=O)n1cc(cn1)-c1ccc(=O)n(c1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O3/c1-2-3-11-25-19(24)22-14-16(12-20-22)15-9-10-18(23)21(13-15)17-7-5-4-6-8-17/h4-10,12-14H,2-3,11H2,1H3
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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))		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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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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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))		BDBM168542
PNG
(US9675593, 97)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1OCCN1CCCC1=O
Show InChI InChI=1S/C24H20F4N2O4/c25-17-5-3-16(4-6-17)20-15-30(18-7-9-19(10-8-18)34-24(26,27)28)23(32)14-21(20)33-13-12-29-11-1-2-22(29)31/h3-10,14-15H,1-2,11-13H2
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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))		BDBM168546
PNG
(US9675593, 101)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1OCCN1CCNCC1=O
Show InChI InChI=1S/C24H21F4N3O4/c25-17-3-1-16(2-4-17)20-15-31(18-5-7-19(8-6-18)35-24(26,27)28)22(32)13-21(20)34-12-11-30-10-9-29-14-23(30)33/h1-8,13,15,29H,9-12,14H2
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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))		BDBM168550
PNG
(US9675593, 105)
Show SMILES CCCOC(=O)Nc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H18F4N2O4/c1-2-11-31-21(30)27-19-12-20(29)28(13-18(19)14-3-5-15(23)6-4-14)16-7-9-17(10-8-16)32-22(24,25)26/h3-10,12-13H,2,11H2,1H3,(H,27,30)
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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))		BDBM168561
PNG
(US9675593, 118)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H18F4N2O3/c27-19-8-6-18(7-9-19)23-16-32(20-10-12-21(13-11-20)35-26(28,29)30)24(33)14-22(23)25(34)31-15-17-4-2-1-3-5-17/h1-14,16H,15H2,(H,31,34)
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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))		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


(Homo sapiens (Human))		BDBM168575
PNG
(US9675593, 130)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1Nc1ccccc1
Show InChI InChI=1S/C22H17F3N4O2/c1-28-13-15(12-26-28)19-14-29(17-7-9-18(10-8-17)31-22(23,24)25)21(30)11-20(19)27-16-5-3-2-4-6-16/h2-14,27H,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))		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


(Homo sapiens (Human))		BDBM168590
PNG
(US9675593, 143)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1OCc1ccccc1
Show InChI InChI=1S/C23H18F3N3O3/c1-28-13-17(12-27-28)20-14-29(18-7-9-19(10-8-18)32-23(24,25)26)22(30)11-21(20)31-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
PDB

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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))		BDBM168594
PNG
(US9675593, 145)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1OCCN1CCCC1
Show InChI InChI=1S/C22H23F3N4O3/c1-27-14-16(13-26-27)19-15-29(17-4-6-18(7-5-17)32-22(23,24)25)21(30)12-20(19)31-11-10-28-8-2-3-9-28/h4-7,12-15H,2-3,8-11H2,1H3
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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))		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
PDB

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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))		BDBM169294
PNG
(US9675593, 176)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C18H14FNO/c1-13-11-18(21)20(16-5-3-2-4-6-16)12-17(13)14-7-9-15(19)10-8-14/h2-12H,1H3
PDB

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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))		BDBM169492
PNG
(US9675593, 181)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClFNO/c1-12-10-18(22)21(16-8-4-14(19)5-9-16)11-17(12)13-2-6-15(20)7-3-13/h2-11H,1H3
PDB

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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))		BDBM169508
PNG
(US9675593, 183)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H14FNO3/c1-12-8-19(22)21(10-16(12)13-2-4-14(20)5-3-13)15-6-7-17-18(9-15)24-11-23-17/h2-10H,11H2,1H3
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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))		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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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))		BDBM169540
PNG
(US9675593, 197)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(Cl)c(Cl)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H12Cl2F3NO2/c1-11-8-18(26)25(10-15(11)12-2-7-16(20)17(21)9-12)13-3-5-14(6-4-13)27-19(22,23)24/h2-10H,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))		BDBM169606
PNG
(US9675593, 219)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cn[nH]c2)c(C)cc1=O
Show InChI InChI=1S/C18H19N3O2/c1-4-23-15-5-6-17(13(3)7-15)21-11-16(12(2)8-18(21)22)14-9-19-20-10-14/h5-11H,4H2,1-3H3,(H,19,20)
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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))		BDBM169618
PNG
(US9675593, 221)
Show SMILES COc1cc(cc(OC)c1OC)-n1cc(-c2cnn(C)c2)c(C)cc1=O
Show InChI InChI=1S/C19H21N3O4/c1-12-6-18(23)22(11-15(12)13-9-20-21(2)10-13)14-7-16(24-3)19(26-5)17(8-14)25-4/h6-11H,1-5H3
PDB

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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))		BDBM169737
PNG
(US9675593, 229)
Show SMILES Cc1cc(Cl)ccc1-n1cc(-c2cnn(C)c2)c(C)cc1=O
Show InChI InChI=1S/C17H16ClN3O/c1-11-7-17(22)21(16-5-4-14(18)6-12(16)2)10-15(11)13-8-19-20(3)9-13/h4-10H,1-3H3
PDB

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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))		BDBM169755
PNG
(US9675593, 240)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1C(F)(F)F
Show InChI InChI=1S/C17H11F6N3O2/c1-25-8-10(7-24-25)13-9-26(15(27)6-14(13)16(18,19)20)11-2-4-12(5-3-11)28-17(21,22)23/h2-9H,1H3
PDB

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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))		BDBM169759
PNG
(US9675593, 244)
Show SMILES Cc1cc(=O)n(cc1-n1ccnc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H12F3N3O2/c1-11-8-15(23)22(9-14(11)21-7-6-20-10-21)12-2-4-13(5-3-12)24-16(17,18)19/h2-10H,1H3
PDB

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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))		BDBM169969
PNG
(US9675593, 253)
Show SMILES Cc1cc(=O)n(cc1-c1nn[nH]n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H10F3N5O2/c1-8-6-12(23)22(7-11(8)13-18-20-21-19-13)9-2-4-10(5-3-9)24-14(15,16)17/h2-7H,1H3,(H,18,19,20,21)
PDB

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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))		BDBM169970
PNG
(US9675593, 254)
Show SMILES Cc1cc(=O)n(cc1-c1ccc2ocnc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H13F3N2O3/c1-12-8-19(26)25(14-3-5-15(6-4-14)28-20(21,22)23)10-16(12)13-2-7-18-17(9-13)24-11-27-18/h2-11H,1H3
PDB

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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))		BDBM170438
PNG
(US9675593, 276)
Show SMILES COc1cccc(c1)-n1cc(ccc1=O)C(F)(F)F
Show InChI InChI=1S/C13H10F3NO2/c1-19-11-4-2-3-10(7-11)17-8-9(13(14,15)16)5-6-12(17)18/h2-8H,1H3
PDB

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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))		BDBM170462
PNG
(US9675593, 277)
Show SMILES CC(=O)Nc1cccc(c1)-n1cc(ccc1=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-9(20)18-11-3-2-4-12(7-11)19-8-10(14(15,16)17)5-6-13(19)21/h2-8H,1H3,(H,18,20)
PDB

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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))		BDBM170525
PNG
(US9675593, 336)
Show SMILES Cc1ccc(=S)n(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FNS/c1-9-2-7-12(15)14(8-9)11-5-3-10(13)4-6-11/h2-8H,1H3
PDB

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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))		BDBM170537
PNG
(US9675593, 353)
Show SMILES Cc1cc(cn(-c2ccccc2)c1=O)-c1cnn(C)c1
Show InChI InChI=1S/C16H15N3O/c1-12-8-13(14-9-17-18(2)10-14)11-19(16(12)20)15-6-4-3-5-7-15/h3-11H,1-2H3
PDB

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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))		BDBM171193
PNG
(US9675593, 363)
Show SMILES Cn1cc(cn1)-c1ccc(=O)n(n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H11F3N4O2/c1-21-9-10(8-19-21)13-6-7-14(23)22(20-13)11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3
PDB

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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))		BDBM171340
PNG
(US9675593, 367)
Show SMILES Cc1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1C
Show InChI InChI=1S/C14H12F3NO2/c1-9-7-13(19)18(8-10(9)2)11-3-5-12(6-4-11)20-14(15,16)17/h3-8H,1-2H3
PDB

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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))		BDBM172319
PNG
(US9675593, 393)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2NC(=O)COc12
Show InChI InChI=1S/C18H13F3N4O4/c1-24-7-10(6-22-24)13-8-25(17(27)15-16(13)28-9-14(26)23-15)11-2-4-12(5-3-11)29-18(19,20)21/h2-8H,9H2,1H3,(H,23,26)
PDB

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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))		BDBM172321
PNG
(US9675593, 394)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2n(C)ccc12
Show InChI InChI=1S/C19H15F3N4O2/c1-24-8-7-15-16(12-9-23-25(2)10-12)11-26(18(27)17(15)24)13-3-5-14(6-4-13)28-19(20,21)22/h3-11H,1-2H3
PDB

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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))		BDBM172337
PNG
(US9675593, 399)
Show SMILES Clc1ccc(cc1)-n1cc(-c2cn[nH]c2)c2nccnc2c1=O
Show InChI InChI=1S/C16H10ClN5O/c17-11-1-3-12(4-2-11)22-9-13(10-7-20-21-8-10)14-15(16(22)23)19-6-5-18-14/h1-9H,(H,20,21)
PDB

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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))		BDBM172469
PNG
(US9675593, 413)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1Oc1cccc(Cl)c1
Show InChI InChI=1S/C22H15ClF3N3O3/c1-28-12-14(11-27-28)19-13-29(16-5-7-17(8-6-16)32-22(24,25)26)21(30)10-20(19)31-18-4-2-3-15(23)9-18/h2-13H,1H3
PDB

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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))		BDBM172470
PNG
(US9675593, 414)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C22H15ClF3N3O3/c1-28-12-14(11-27-28)17-13-29(15-6-8-16(9-7-15)32-22(24,25)26)21(30)10-20(17)31-19-5-3-2-4-18(19)23/h2-13H,1H3
PDB

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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))		BDBM172474
PNG
(US9675593, 418)
Show SMILES Cc1cc(=O)n(cc1-c1ccc(F)cc1)-c1ccc(NC(N)=O)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-12-10-18(24)23(11-17(12)13-2-4-14(20)5-3-13)16-8-6-15(7-9-16)22-19(21)25/h2-11H,1H3,(H3,21,22,25)
PDB

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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))		BDBM172485
PNG
(US9675593, 430)
Show SMILES CCn1c2ccc(cc2oc1=O)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)cc1C
Show InChI InChI=1S/C22H17F3N2O4/c1-3-26-18-9-4-14(11-19(18)30-21(26)29)17-12-27(20(28)10-13(17)2)15-5-7-16(8-6-15)31-22(23,24)25/h4-12H,3H2,1-2H3
PDB

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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))		BDBM172489
PNG
(US9675593, 439)
Show SMILES Cc1ccccc1-n1cc(ccc1=O)-c1cnn(C)c1
Show InChI InChI=1S/C16H15N3O/c1-12-5-3-4-6-15(12)19-11-13(7-8-16(19)20)14-9-17-18(2)10-14/h3-11H,1-2H3
PDB

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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))		BDBM172507
PNG
(US9675593, 542)
Show SMILES Cn1cc(cn1)-c1c[nH]c(=O)cc1NCc1ncccn1
Show InChI InChI=1S/C14H14N6O/c1-20-9-10(6-19-20)11-7-18-14(21)5-12(11)17-8-13-15-3-2-4-16-13/h2-7,9H,8H2,1H3,(H2,17,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
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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))		BDBM172509
PNG
(US9675593, 544)
Show SMILES Cn1cc(cn1)-c1c[nH]c(=O)cc1NCc1ccccn1
Show InChI InChI=1S/C15H15N5O/c1-20-10-11(7-19-20)13-9-18-15(21)6-14(13)17-8-12-4-2-3-5-16-12/h2-7,9-10H,8H2,1H3,(H2,17,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))		BDBM172512
PNG
(US9675593, 547)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1ccc(NCc2ccccn2)cc1=O
Show InChI InChI=1S/C18H14F3N3O2/c19-18(20,21)26-16-6-4-15(5-7-16)24-10-8-13(11-17(24)25)23-12-14-3-1-2-9-22-14/h1-11,23H,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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))		BDBM172526
PNG
(US9675593, 568)
Show SMILES Cc1nc2c(o1)c(cn(-c1ccc(OC(F)(F)F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H12F4N2O3/c1-11-25-17-18(28-11)16(12-2-4-13(21)5-3-12)10-26(19(17)27)14-6-8-15(9-7-14)29-20(22,23)24/h2-10H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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
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* indicates data uncertainty>20%