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Compile Data Set for Download or QSAR

Found 18 hits of ec50 data for polymerid = 50000530,50001390   
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
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287915
PNG
(CNP-22 | CNP-53 | Natriuretic peptide, C-type | US...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN
Show InChI InChI=1S/C93H157N27O28S3/c1-12-52(10)76-91(146)104-42-72(127)108-65(44-122)88(143)114-57(26-30-149-11)82(137)118-64(43-121)80(135)103-39-70(125)106-58(31-48(2)3)78(133)101-41-74(129)110-68(92(147)148)47-151-150-46-67(109-73(128)40-100-77(132)54(23-16-18-27-94)111-89(144)66(45-123)119-85(140)59(32-49(4)5)105-69(124)37-96)90(145)116-62(35-53-21-14-13-15-22-53)79(134)102-38-71(126)107-60(33-50(6)7)84(139)112-55(24-17-19-28-95)81(136)115-61(34-51(8)9)86(141)117-63(36-75(130)131)87(142)113-56(83(138)120-76)25-20-29-99-93(97)98/h13-15,21-22,48-52,54-68,76,121-123H,12,16-20,23-47,94-96H2,1-11H3,(H,100,132)(H,101,133)(H,102,134)(H,103,135)(H,104,146)(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,144)(H,112,139)(H,113,142)(H,114,143)(H,115,136)(H,116,145)(H,117,141)(H,118,137)(H,119,140)(H,120,138)(H,130,131)(H,147,148)(H4,97,98,99)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-/m0/s1
PDB
MMDB

KEGG

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UniChem
US Patent
n/an/an/an/a 13.8n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287928
PNG
(US10087144, Compound 187)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C26H21BrN2O4/c27-19-11-12-23-20(14-19)24(30)21(16-29(23)15-18-9-5-2-6-10-18)25(31)28-22(26(32)33)13-17-7-3-1-4-8-17/h1-12,14,16,22H,13,15H2,(H,28,31)(H,32,33)
PDB
MMDB

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UniChem
US Patent
n/an/an/an/a 1.60E+3n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287916
PNG
(US10087144, Compound 28)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C23H23BrN2O4/c1-23(2,3)30-20(27)12-25-22(29)18-14-26(13-15-7-5-4-6-8-15)19-10-9-16(24)11-17(19)21(18)28/h4-11,14H,12-13H2,1-3H3,(H,25,29)
PDB
MMDB

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US Patent
n/an/an/an/a 1.60E+3n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287918
PNG
(US10087144, Compound 118)
Show SMILES OC(=O)CNC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C19H15BrN2O4/c20-13-6-7-16-14(8-13)18(25)15(19(26)21-9-17(23)24)11-22(16)10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,21,26)(H,23,24)
PDB
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US Patent
n/an/an/an/a 2.80E+3n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287927
PNG
(US10087144, Compound 178)
Show SMILES OC(=O)CNC(=O)c1cnc2ccccc2c1=O
PDB
MMDB

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n/an/an/an/a 1.74E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287932
PNG
(US10087144, Compound 202)
Show SMILES CC(NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)C(O)=O
Show InChI InChI=1S/C20H18N2O4/c1-13(20(25)26)21-19(24)16-12-22(11-14-7-3-2-4-8-14)17-10-6-5-9-15(17)18(16)23/h2-10,12-13H,11H2,1H3,(H,21,24)(H,25,26)
PDB
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n/an/an/an/a 2.03E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287925
PNG
(US10087144, Compound 176)
Show SMILES OC(=O)CNC(=O)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2ccc(Br)cc2c1=O
Show InChI InChI=1S/C20H14BrF3N2O5/c21-12-3-6-16-14(7-12)18(29)15(19(30)25-8-17(27)28)10-26(16)9-11-1-4-13(5-2-11)31-20(22,23)24/h1-7,10H,8-9H2,(H,25,30)(H,27,28)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287926
PNG
(US10087144, Compound 177)
Show SMILES OC(=O)CNC(=O)c1cn(Cc2ccccc2O)c2ccccc2c1=O
Show InChI InChI=1S/C19H16N2O5/c22-16-8-4-1-5-12(16)10-21-11-14(19(26)20-9-17(23)24)18(25)13-6-2-3-7-15(13)21/h1-8,11,22H,9-10H2,(H,20,26)(H,23,24)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287929
PNG
(US10087144, Compound 188)
Show SMILES CC(C)CC(NC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O)C(O)=O
Show InChI InChI=1S/C23H23BrN2O4/c1-14(2)10-19(23(29)30)25-22(28)18-13-26(12-15-6-4-3-5-7-15)20-9-8-16(24)11-17(20)21(18)27/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,25,28)(H,29,30)
PDB
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US Patent
n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287930
PNG
(US10087144, Compound 200)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C26H22N2O4/c29-24-20-13-7-8-14-23(20)28(16-19-11-5-2-6-12-19)17-21(24)25(30)27-22(26(31)32)15-18-9-3-1-4-10-18/h1-14,17,22H,15-16H2,(H,27,30)(H,31,32)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287931
PNG
(US10087144, Compound 201)
Show SMILES CC(C)CC(NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)C(O)=O
Show InChI InChI=1S/C23H24N2O4/c1-15(2)12-19(23(28)29)24-22(27)18-14-25(13-16-8-4-3-5-9-16)20-11-7-6-10-17(20)21(18)26/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,27)(H,28,29)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287924
PNG
(US10087144, Compound 175)
Show SMILES Cc1cc(C)cc(Cn2cc(C(=O)NCC(O)=O)c(=O)c3ccccc23)c1
Show InChI InChI=1S/C21H20N2O4/c1-13-7-14(2)9-15(8-13)11-23-12-17(21(27)22-10-19(24)25)20(26)16-5-3-4-6-18(16)23/h3-9,12H,10-11H2,1-2H3,(H,22,27)(H,24,25)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287922
PNG
(US10087144, Compound 173)
Show SMILES OC(=O)CNC(=O)c1cn(Cc2ccccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C19H15FN2O4/c20-15-7-3-1-5-12(15)10-22-11-14(19(26)21-9-17(23)24)18(25)13-6-2-4-8-16(13)22/h1-8,11H,9-10H2,(H,21,26)(H,23,24)
PDB
MMDB

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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287921
PNG
(US10087144, Compound 172)
Show SMILES OC(=O)CNC(=O)c1cn(Cc2cccc(Cl)c2)c2ccccc2c1=O
Show InChI InChI=1S/C19H15ClN2O4/c20-13-5-3-4-12(8-13)10-22-11-15(19(26)21-9-17(23)24)18(25)14-6-1-2-7-16(14)22/h1-8,11H,9-10H2,(H,21,26)(H,23,24)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287920
PNG
(US10087144, Compound 171)
Show SMILES CCn1cc(C(=O)NCC(O)=O)c(=O)c2ccccc12
Show InChI InChI=1S/C14H14N2O4/c1-2-16-8-10(14(20)15-7-12(17)18)13(19)9-5-3-4-6-11(9)16/h3-6,8H,2,7H2,1H3,(H,15,20)(H,17,18)
PDB
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US Patent
n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287919
PNG
(US10087144, Compound 119)
Show SMILES CC(C)C(NC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O)C(O)=O
Show InChI InChI=1S/C22H21BrN2O4/c1-13(2)19(22(28)29)24-21(27)17-12-25(11-14-6-4-3-5-7-14)18-9-8-15(23)10-16(18)20(17)26/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,28,29)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287917
PNG
(US10087144, Compound 117)
Show SMILES OC(=O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C19H16N2O4/c22-17(23)10-20-19(25)15-12-21(11-13-6-2-1-3-7-13)16-9-5-4-8-14(16)18(15)24/h1-9,12H,10-11H2,(H,20,25)(H,22,23)
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Mus musculus)
BDBM287923
PNG
(US10087144, Compound 174)
Show SMILES COc1ccc(Cn2cc(C(=O)NCC(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H18N2O5/c1-27-14-8-6-13(7-9-14)11-22-12-16(20(26)21-10-18(23)24)19(25)15-4-2-3-5-17(15)22/h2-9,12H,10-11H2,1H3,(H,21,26)(H,23,24)
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



UCL Business PLC

US Patent


Assay Description
Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in ...


US Patent US10087144 (2018)

More data for this
Ligand-Target Pair