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Compile Data Set for Download or QSAR

Found 22 hits of ec50 data for polymerid = 50000241,50007308   
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


(Homo sapiens)
BDBM50230986
PNG
(CARPERITIDE | Carperitide | SUN-4936)
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](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=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](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO
Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.100n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50112321
PNG
(Atrial natriuretic peptide analogue | CHEMBL407206...)
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](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C75H117N27O19S4/c1-5-39(2)59-72(121)99-53(35-103)69(118)101-55(71(120)96-50(29-41-17-19-43(104)20-18-41)66(115)92-45(60(77)109)14-9-23-85-73(78)79)37-125-124-36-54(100-61(110)44(76)21-26-122-3)70(119)97-51(30-42-32-84-38-90-42)67(116)95-49(28-40-12-7-6-8-13-40)62(111)89-33-56(105)88-34-57(106)91-46(15-10-24-86-74(80)81)63(112)94-48(22-27-123-4)64(113)98-52(31-58(107)108)68(117)93-47(65(114)102-59)16-11-25-87-75(82)83/h6-8,12-13,17-20,32,38-39,44-55,59,103-104H,5,9-11,14-16,21-31,33-37,76H2,1-4H3,(H2,77,109)(H,84,90)(H,88,105)(H,89,111)(H,91,106)(H,92,115)(H,93,117)(H,94,112)(H,95,116)(H,96,120)(H,97,119)(H,98,113)(H,99,121)(H,100,110)(H,101,118)(H,102,114)(H,107,108)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t39-,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+,54-,55+,59-/m0/s1
PDB
MMDB

KEGG

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B.MOAD
DrugBank
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.680n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Rattus norvegicus)
BDBM50230986
PNG
(CARPERITIDE | Carperitide | SUN-4936)
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](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=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](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO
Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50230984
PNG
(CHEMBL4099832)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CCCC)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-3-5-7-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-9-11-14(12-10-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(8-6-4-2)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h9-12,15-16H,3-8H2,1-2H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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n/an/an/an/a 2n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50112320
PNG
(Atrial natriuretic peptide analogue | CHEMBL405572...)
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](CCSC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C74H112N24O19S4/c1-5-39(2)59-72(117)94-52(35-99)68(113)96-54(70(115)91-49(29-41-17-19-43(100)20-18-41)65(110)87-45(60(76)105)14-9-23-82-73(77)78)37-121-120-36-53(95-61(106)44(75)21-26-118-3)69(114)92-50(30-42-32-81-38-86-42)66(111)90-48(28-40-12-7-6-8-13-40)62(107)85-33-56(101)84-34-57(102)98-25-11-16-55(98)71(116)89-47(22-27-119-4)63(108)93-51(31-58(103)104)67(112)88-46(64(109)97-59)15-10-24-83-74(79)80/h6-8,12-13,17-20,32,38-39,44-55,59,99-100H,5,9-11,14-16,21-31,33-37,75H2,1-4H3,(H2,76,105)(H,81,86)(H,84,101)(H,85,107)(H,87,110)(H,88,112)(H,89,116)(H,90,111)(H,91,115)(H,92,114)(H,93,108)(H,94,117)(H,95,106)(H,96,113)(H,97,109)(H,103,104)(H4,77,78,82)(H4,79,80,83)/t39-,44-,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55-,59-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50230983
PNG
(CHEMBL4061575)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CC(C)C)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-11(2)9-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-5-7-14(8-6-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(10-12(3)4)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h5-8,11-12,15-16H,9-10H2,1-4H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
PDB
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem

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PubMed
n/an/an/an/a 5.80n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50230988
PNG
(CHEMBL4089697)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1
Show InChI InChI=1S/C28H44N20O2.4C2HF3O2/c1-11(2)9-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-5-7-14(8-6-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(10-12(3)4)18(50)38-22(48)34;4*3-2(4,5)1(6)7/h11-16H,5-10H2,1-4H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);4*(H,6,7)
PDB
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n/an/an/an/a 8.10n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50112316
PNG
(Atrial natriuretic peptide analogue | CHEMBL384862)
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](CCSC)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C74H116N26O18S4/c1-5-39(2)58-71(118)97-53(35-101)68(115)99-55(70(117)94-50(31-41-17-19-43(102)20-18-41)65(112)90-45(59(76)106)21-27-87-74(81)82)37-122-121-36-54(98-60(107)44(75)22-28-119-3)69(116)95-51(32-42-34-83-38-88-42)66(113)93-49(30-40-12-7-6-8-13-40)61(108)84-24-11-16-56(103)89-46(14-9-25-85-72(77)78)62(109)92-48(23-29-120-4)63(110)96-52(33-57(104)105)67(114)91-47(64(111)100-58)15-10-26-86-73(79)80/h6-8,12-13,17-20,34,38-39,44-55,58,101-102H,5,9-11,14-16,21-33,35-37,75H2,1-4H3,(H2,76,106)(H,83,88)(H,84,108)(H,89,103)(H,90,112)(H,91,114)(H,92,109)(H,93,113)(H,94,117)(H,95,116)(H,96,110)(H,97,118)(H,98,107)(H,99,115)(H,100,111)(H,104,105)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t39-,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,55-,58+/m0/s1
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UniChem

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Article
PubMed
n/an/an/an/a 8.30n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50230982
PNG
(CHEMBL4097422)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(C)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C25H32N20O2.2C2HF3O2/c1-9(2)8-13-15(47)35-19(31)45(13)25-41-21(39-23(43-25)37-17(28)29)33-12-6-4-11(5-7-12)32-20-38-22(36-16(26)27)42-24(40-20)44-10(3)14(46)34-18(44)30;2*3-2(4,5)1(6)7/h4-7,9-10,13H,8H2,1-3H3,(H2,30,34,46)(H2,31,35,47)(H5,26,27,32,36,38,40,42)(H5,28,29,33,37,39,41,43);2*(H,6,7)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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UniChem

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PubMed
n/an/an/an/a 19n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Rattus norvegicus)
BDBM50230984
PNG
(CHEMBL4099832)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CCCC)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-3-5-7-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-9-11-14(12-10-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(8-6-4-2)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h9-12,15-16H,3-8H2,1-2H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
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n/an/an/an/a 23n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50112317
PNG
(Atrial natriuretic peptide analogue | CHEMBL439465...)
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](CCSC)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C72H110N24O19S4/c1-6-37(2)57-70(115)93-51(33-97)67(112)95-53(69(114)90-48(27-40-16-18-42(98)19-17-40)64(109)86-44(58(74)103)14-10-22-80-71(75)76)35-119-118-34-52(94-60(105)43(73)20-24-116-4)68(113)91-49(28-41-30-79-36-84-41)65(110)89-47(26-39-12-8-7-9-13-39)61(106)83-31-54(99)82-32-55(100)85-38(3)59(104)87-46(21-25-117-5)62(107)92-50(29-56(101)102)66(111)88-45(63(108)96-57)15-11-23-81-72(77)78/h7-9,12-13,16-19,30,36-38,43-53,57,97-98H,6,10-11,14-15,20-29,31-35,73H2,1-5H3,(H2,74,103)(H,79,84)(H,82,99)(H,83,106)(H,85,100)(H,86,109)(H,87,104)(H,88,111)(H,89,110)(H,90,114)(H,91,113)(H,92,107)(H,93,115)(H,94,105)(H,95,112)(H,96,108)(H,101,102)(H4,75,76,80)(H4,77,78,81)/t37-,38-,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53+,57-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50112318
PNG
(Atrial natriuretic peptide analogue | CHEMBL409400)
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](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C78H121N27O19S4/c1-5-41(2)61-75(124)101-55(37-106)71(120)103-57(73(122)98-52(32-43-19-21-45(107)22-20-43)68(117)93-47(62(80)111)15-9-25-88-76(81)82)39-128-127-38-56(102-63(112)46(79)23-29-125-3)72(121)99-53(33-44-35-87-40-92-44)69(118)97-51(31-42-13-7-6-8-14-42)64(113)91-36-59(108)105-28-12-18-58(105)74(123)96-48(16-10-26-89-77(83)84)65(114)95-50(24-30-126-4)66(115)100-54(34-60(109)110)70(119)94-49(67(116)104-61)17-11-27-90-78(85)86/h6-8,13-14,19-22,35,40-41,46-58,61,106-107H,5,9-12,15-18,23-34,36-39,79H2,1-4H3,(H2,80,111)(H,87,92)(H,91,113)(H,93,117)(H,94,119)(H,95,114)(H,96,123)(H,97,118)(H,98,122)(H,99,121)(H,100,115)(H,101,124)(H,102,112)(H,103,120)(H,104,116)(H,109,110)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,46-,47-,48-,49+,50+,51+,52-,53-,54-,55+,56-,57+,58+,61-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50112323
PNG
(Atrial natriuretic peptide analogue | CHEMBL414517)
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]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C75H115N27O19S3/c1-4-39(2)59-71(120)98-52(35-103)67(116)100-54(69(118)95-49(29-41-18-20-43(104)21-19-41)64(113)92-45(60(77)109)14-8-23-85-73(78)79)37-124-123-36-53(99-61(110)44(76)22-27-122-3)68(117)96-50(30-42-32-84-38-90-42)65(114)94-48(28-40-12-6-5-7-13-40)62(111)89-33-56(105)88-34-57(106)91-47(16-10-25-87-75(82)83)72(121)102-26-11-17-55(102)70(119)97-51(31-58(107)108)66(115)93-46(63(112)101-59)15-9-24-86-74(80)81/h5-7,12-13,18-21,32,38-39,44-55,59,103-104H,4,8-11,14-17,22-31,33-37,76H2,1-3H3,(H2,77,109)(H,84,90)(H,88,105)(H,89,111)(H,91,106)(H,92,113)(H,93,115)(H,94,114)(H,95,118)(H,96,117)(H,97,119)(H,98,120)(H,99,110)(H,100,116)(H,101,112)(H,107,108)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t39-,44-,45-,46-,47+,48+,49-,50-,51+,52-,53-,54-,55-,59+/m0/s1
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n/an/an/an/a 66n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Rattus norvegicus)
BDBM50230988
PNG
(CHEMBL4089697)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1
Show InChI InChI=1S/C28H44N20O2.4C2HF3O2/c1-11(2)9-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-5-7-14(8-6-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(10-12(3)4)18(50)38-22(48)34;4*3-2(4,5)1(6)7/h11-16H,5-10H2,1-4H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);4*(H,6,7)
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n/an/an/an/a 76n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50112326
PNG
(Atrial natriuretic peptide analogue | CHEMBL413653)
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](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C78H121N27O19S4/c1-5-41(2)61-74(123)101-55(37-106)70(119)103-57(72(121)97-51(31-43-19-21-45(107)22-20-43)67(116)94-47(62(80)111)15-9-25-88-76(81)82)39-128-127-38-56(102-63(112)46(79)23-29-125-3)71(120)98-52(33-44-35-87-40-92-44)68(117)100-54(32-42-13-7-6-8-14-42)75(124)105-28-12-18-58(105)73(122)91-36-59(108)93-48(16-10-26-89-77(83)84)64(113)96-50(24-30-126-4)65(114)99-53(34-60(109)110)69(118)95-49(66(115)104-61)17-11-27-90-78(85)86/h6-8,13-14,19-22,35,40-41,46-58,61,106-107H,5,9-12,15-18,23-34,36-39,79H2,1-4H3,(H2,80,111)(H,87,92)(H,91,122)(H,93,108)(H,94,116)(H,95,118)(H,96,113)(H,97,121)(H,98,120)(H,99,114)(H,100,117)(H,101,123)(H,102,112)(H,103,119)(H,104,115)(H,109,110)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,46-,47-,48-,49+,50+,51-,52-,53-,54+,55+,56-,57+,58-,61-/m0/s1
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n/an/an/an/a 108n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50112322
PNG
(Atrial natriuretic peptide analogue | CHEMBL385216)
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](CCSC)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C74H116N26O18S4/c1-5-39(2)58-71(118)97-53(35-101)68(115)99-55(70(117)94-50(31-41-17-19-43(102)20-18-41)65(112)90-45(59(76)106)14-9-24-85-72(77)78)37-122-121-36-54(98-60(107)44(75)22-28-119-3)69(116)95-51(32-42-34-83-38-88-42)66(113)93-49(30-40-12-7-6-8-13-40)61(108)84-27-21-56(103)89-46(15-10-25-86-73(79)80)62(109)92-48(23-29-120-4)63(110)96-52(33-57(104)105)67(114)91-47(64(111)100-58)16-11-26-87-74(81)82/h6-8,12-13,17-20,34,38-39,44-55,58,101-102H,5,9-11,14-16,21-33,35-37,75H2,1-4H3,(H2,76,106)(H,83,88)(H,84,108)(H,89,103)(H,90,112)(H,91,114)(H,92,109)(H,93,113)(H,94,117)(H,95,116)(H,96,110)(H,97,118)(H,98,107)(H,99,115)(H,100,111)(H,104,105)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t39-,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,55-,58+/m0/s1
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n/an/an/an/a 177n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50112324
PNG
(Atrial natriuretic peptide analogue | CHEMBL408343)
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](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C73H113N27O19S3/c1-5-37(2)57-70(119)97-51(33-101)67(116)99-53(69(118)95-48(27-40-17-19-42(102)20-18-40)64(113)91-44(58(75)107)14-9-22-83-71(76)77)35-122-121-34-52(98-60(109)43(74)21-25-120-4)68(117)96-49(28-41-30-82-36-88-41)65(114)94-47(26-39-12-7-6-8-13-39)61(110)87-31-54(103)86-32-55(104)90-45(15-10-23-84-72(78)79)62(111)89-38(3)59(108)93-50(29-56(105)106)66(115)92-46(63(112)100-57)16-11-24-85-73(80)81/h6-8,12-13,17-20,30,36-38,43-53,57,101-102H,5,9-11,14-16,21-29,31-35,74H2,1-4H3,(H2,75,107)(H,82,88)(H,86,103)(H,87,110)(H,89,111)(H,90,104)(H,91,113)(H,92,115)(H,93,108)(H,94,114)(H,95,118)(H,96,117)(H,97,119)(H,98,109)(H,99,116)(H,100,112)(H,105,106)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t37-,38+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53+,57-/m0/s1
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n/an/an/an/a 198n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50112325
PNG
(Atrial natriuretic peptide analogue | CHEMBL402664)
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](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C73H114N26O18S4/c1-5-38(2)57-70(117)96-52(34-100)67(114)98-54(69(116)93-49(29-40-17-19-42(101)20-18-40)64(111)89-44(58(75)105)14-9-23-83-71(76)77)36-121-120-35-53(97-59(106)43(74)21-26-118-3)68(115)94-50(30-41-32-82-37-87-41)65(112)92-48(28-39-12-7-6-8-13-39)60(107)86-33-55(102)88-45(15-10-24-84-72(78)79)61(108)91-47(22-27-119-4)62(109)95-51(31-56(103)104)66(113)90-46(63(110)99-57)16-11-25-85-73(80)81/h6-8,12-13,17-20,32,37-38,43-54,57,100-101H,5,9-11,14-16,21-31,33-36,74H2,1-4H3,(H2,75,105)(H,82,87)(H,86,107)(H,88,102)(H,89,111)(H,90,113)(H,91,108)(H,92,112)(H,93,116)(H,94,115)(H,95,109)(H,96,117)(H,97,106)(H,98,114)(H,99,110)(H,103,104)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t38-,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53-,54+,57-/m0/s1
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n/an/an/an/a 215n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50230989
PNG
(CHEMBL4092093)
Show SMILES CC(C)CC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C17H22N10O/c1-9(2)8-11-12(28)22-14(20)27(11)17-25-15(21-10-6-4-3-5-7-10)24-16(26-17)23-13(18)19/h3-7,9,11H,8H2,1-2H3,(H2,20,22,28)(H5,18,19,21,23,24,25,26)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50112319
PNG
(Atrial natriuretic peptide analogue | CHEMBL412345)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C76H119N27O17S4/c1-5-41(2)60-72(119)99-54(37-104)68(115)101-56(70(117)97-52(32-43-19-21-45(105)22-20-43)66(113)93-47(61(78)108)15-9-25-86-74(79)80)39-124-123-38-55(100-62(109)46(77)23-29-121-3)69(116)98-53(33-44-34-85-40-91-44)67(114)96-51(31-42-13-7-6-8-14-42)63(110)90-35-58(106)89-36-59(107)92-48(16-10-26-87-75(81)82)64(111)95-50(24-30-122-4)73(120)103-28-12-18-57(103)71(118)94-49(65(112)102-60)17-11-27-88-76(83)84/h6-8,13-14,19-22,34,40-41,46-57,60,104-105H,5,9-12,15-18,23-33,35-39,77H2,1-4H3,(H2,78,108)(H,85,91)(H,89,106)(H,90,110)(H,92,107)(H,93,113)(H,94,118)(H,95,111)(H,96,114)(H,97,117)(H,98,116)(H,99,119)(H,100,109)(H,101,115)(H,102,112)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,46-,47-,48-,49+,50+,51+,52-,53-,54+,55-,56+,57-,60-/m0/s1
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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50230981
PNG
(CHEMBL4070239)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(C)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C22H26N20O2.2C2HF3O2/c1-7-11(43)31-15(27)41(7)21-37-17(35-19(39-21)33-13(23)24)29-9-3-5-10(6-4-9)30-18-36-20(34-14(25)26)40-22(38-18)42-8(2)12(44)32-16(42)28;2*3-2(4,5)1(6)7/h3-8H,1-2H3,(H2,27,31,43)(H2,28,32,44)(H5,23,24,29,33,35,37,39)(H5,25,26,30,34,36,38,40);2*(H,6,7)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

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


(Homo sapiens)
BDBM50230987
PNG
(CHEMBL4071293)
Show SMILES C\N=C(/N(C)C)N(C)c1nc(Nc2ccccc2)nc(n1)N1C(CC(C)C)C(=O)N=C1N
Show InChI InChI=1S/C21H30N10O/c1-13(2)12-15-16(32)25-17(22)31(15)20-27-18(24-14-10-8-7-9-11-14)26-19(28-20)30(6)21(23-3)29(4)5/h7-11,13,15H,12H2,1-6H3,(H2,22,25,32)(H,24,26,27,28)/b23-21+
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UniChem
PubMed
n/an/an/an/a 6.40E+4n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)

More data for this
Ligand-Target Pair