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PubMed code 28958620

Compile data set for download or QSAR
Found 21 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
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262457
PNG
(CHEMBL4101571)
Show SMILES CC(C)Nc1nc(NCc2ccc(NC(=O)C3CCCN(C)C3)cc2)c2cc(ccc2n1)-c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-21(2)33-31-35-28-16-13-24(23-8-5-4-6-9-23)18-27(28)29(36-31)32-19-22-11-14-26(15-12-22)34-30(38)25-10-7-17-37(3)20-25/h4-6,8-9,11-16,18,21,25H,7,10,17,19-20H2,1-3H3,(H,34,38)(H2,32,33,35,36)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262475
PNG
(CHEMBL4090153)
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 |r|
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
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n/an/an/an/a 0.100n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262474
PNG
(CHEMBL4082303)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(Cl)c1 |r,wU:11.14,wD:8.7,(63.87,-4.01,;62.54,-4.78,;62.55,-6.32,;61.2,-4.02,;59.87,-4.79,;59.88,-6.34,;58.54,-7.11,;58.54,-8.65,;59.87,-9.42,;59.87,-10.96,;61.19,-11.73,;62.53,-10.97,;62.54,-9.43,;61.2,-8.65,;63.86,-11.74,;65.2,-10.98,;65.21,-9.44,;66.53,-11.75,;67.86,-10.99,;69.19,-11.77,;69.18,-13.31,;67.84,-14.07,;67.83,-15.61,;66.52,-13.29,;57.21,-6.34,;55.88,-7.11,;54.55,-6.35,;54.55,-4.8,;55.88,-4.03,;57.21,-4.8,;58.54,-4.03,;53.22,-7.12,;53.23,-8.65,;51.9,-9.43,;50.56,-8.66,;50.56,-7.12,;49.22,-6.35,;51.89,-6.35,)|
Show InChI InChI=1S/C30H39ClN6O/c1-19(2)32-30-35-27-14-9-21(20-6-4-8-23(31)16-20)17-26(27)28(36-30)33-24-10-12-25(13-11-24)34-29(38)22-7-5-15-37(3)18-22/h4,6,8-9,14,16-17,19,22,24-25H,5,7,10-13,15,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t22?,24-,25-
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n/an/an/an/a 260n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262481
PNG
(CHEMBL4095671)
Show SMILES CC(C)Nc1nc(NCc2ccncc2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C21H21N5S/c1-14(2)24-21-25-17-12-18(16-6-4-3-5-7-16)27-19(17)20(26-21)23-13-15-8-10-22-11-9-15/h3-12,14H,13H2,1-2H3,(H2,23,24,25,26)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262459
PNG
(CHEMBL4093843)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2ccc(cc2n1)-c1ccccc1 |r,wU:11.14,wD:8.7,(18.57,-18.93,;17.24,-19.71,;17.25,-21.25,;15.91,-18.94,;14.58,-19.72,;14.58,-21.27,;13.24,-22.04,;13.24,-23.58,;14.58,-24.35,;14.57,-25.88,;15.9,-26.65,;17.23,-25.89,;17.24,-24.35,;15.9,-23.57,;18.56,-26.67,;19.9,-25.9,;19.91,-24.36,;21.23,-26.68,;22.56,-25.91,;23.9,-26.69,;23.89,-28.23,;22.54,-28.99,;22.53,-30.53,;21.22,-28.22,;11.91,-21.27,;10.58,-22.03,;9.25,-21.27,;9.25,-19.72,;10.58,-18.96,;11.91,-19.73,;13.24,-18.95,;7.92,-18.95,;7.92,-17.41,;6.59,-16.64,;5.25,-17.41,;5.26,-18.96,;6.59,-19.72,)|
Show InChI InChI=1S/C30H40N6O/c1-20(2)31-30-34-27-18-22(21-8-5-4-6-9-21)11-16-26(27)28(35-30)32-24-12-14-25(15-13-24)33-29(37)23-10-7-17-36(3)19-23/h4-6,8-9,11,16,18,20,23-25H,7,10,12-15,17,19H2,1-3H3,(H,33,37)(H2,31,32,34,35)/t23?,24-,25-
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n/an/an/an/a 3.40E+3n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262485
PNG
(CHEMBL4098800)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccc(F)cc1 |r,wU:11.14,wD:8.7,(41.96,-32.4,;40.63,-33.18,;40.64,-34.72,;39.29,-32.41,;37.96,-33.19,;37.97,-34.74,;36.63,-35.51,;36.63,-37.05,;37.97,-37.82,;37.96,-39.36,;39.28,-40.13,;40.62,-39.36,;40.63,-37.82,;39.29,-37.04,;41.95,-40.14,;43.29,-39.37,;43.3,-37.83,;44.62,-40.15,;45.95,-39.38,;47.28,-40.17,;47.27,-41.71,;45.93,-42.47,;45.92,-44,;44.61,-41.69,;35.3,-34.74,;33.97,-35.51,;32.64,-34.74,;32.64,-33.2,;33.97,-32.43,;35.3,-33.2,;36.63,-32.42,;31.31,-35.51,;29.98,-34.74,;28.65,-35.51,;28.65,-37.06,;27.32,-37.83,;29.99,-37.82,;31.32,-37.05,)|
Show InChI InChI=1S/C30H39FN6O/c1-19(2)32-30-35-27-15-8-21(20-6-9-23(31)10-7-20)17-26(27)28(36-30)33-24-11-13-25(14-12-24)34-29(38)22-5-4-16-37(3)18-22/h6-10,15,17,19,22,24-25H,4-5,11-14,16,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t22?,24-,25-
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n/an/an/an/a 310n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262428
PNG
(CHEMBL4086092)
Show SMILES CC(C)Nc1nc(NCc2ccccc2NC(=O)C2CCCN(C)C2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C29H34N6OS/c1-19(2)31-29-33-24-16-25(20-10-5-4-6-11-20)37-26(24)27(34-29)30-17-21-12-7-8-14-23(21)32-28(36)22-13-9-15-35(3)18-22/h4-8,10-12,14,16,19,22H,9,13,15,17-18H2,1-3H3,(H,32,36)(H2,30,31,33,34)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262430
PNG
(CHEMBL4077657)
Show SMILES CC(C)Nc1nc(NCc2cccc(NC(C)=O)c2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5OS/c1-15(2)26-24-28-20-13-21(18-9-5-4-6-10-18)31-22(20)23(29-24)25-14-17-8-7-11-19(12-17)27-16(3)30/h4-13,15H,14H2,1-3H3,(H,27,30)(H2,25,26,28,29)
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n/an/an/an/a 4.50E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262483
PNG
(CHEMBL4083566)
Show SMILES CC(C)Nc1nc(NCc2cccc(NC(=O)c3cccnc3)c2)c2cc(ccc2n1)-c1ccccc1
Show InChI InChI=1S/C30H28N6O/c1-20(2)33-30-35-27-14-13-23(22-9-4-3-5-10-22)17-26(27)28(36-30)32-18-21-8-6-12-25(16-21)34-29(37)24-11-7-15-31-19-24/h3-17,19-20H,18H2,1-2H3,(H,34,37)(H2,32,33,35,36)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262429
PNG
(CHEMBL4064569)
Show SMILES CC(C)Nc1nc(NCc2ccccc2NC(C)=O)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C24H25N5OS/c1-15(2)26-24-28-20-13-21(17-9-5-4-6-10-17)31-22(20)23(29-24)25-14-18-11-7-8-12-19(18)27-16(3)30/h4-13,15H,14H2,1-3H3,(H,27,30)(H2,25,26,28,29)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262434
PNG
(CHEMBL4086415)
Show SMILES CC(C)Nc1nc(NCc2ccccc2NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-21(2)33-31-35-28-16-15-23(22-10-5-4-6-11-22)18-26(28)29(36-31)32-19-24-12-7-8-14-27(24)34-30(38)25-13-9-17-37(3)20-25/h4-8,10-12,14-16,18,21,25H,9,13,17,19-20H2,1-3H3,(H,34,38)(H2,32,33,35,36)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262472
PNG
(CHEMBL4077093)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1F |r,wU:11.14,wD:8.7,(40.95,-3.29,;39.62,-4.07,;39.63,-5.61,;38.28,-3.3,;36.95,-4.08,;36.96,-5.63,;35.62,-6.4,;35.62,-7.94,;36.95,-8.71,;36.95,-10.24,;38.27,-11.01,;39.61,-10.25,;39.62,-8.71,;38.28,-7.93,;40.94,-11.03,;42.28,-10.26,;42.28,-8.72,;43.61,-11.04,;44.94,-10.27,;46.27,-11.05,;46.26,-12.6,;44.92,-13.35,;44.91,-14.89,;43.6,-12.58,;34.29,-5.63,;32.96,-6.39,;31.63,-5.63,;31.63,-4.08,;32.96,-3.32,;34.29,-4.09,;35.62,-3.31,;30.3,-6.4,;30.31,-7.93,;28.98,-8.71,;27.64,-7.94,;27.63,-6.4,;28.97,-5.63,;28.96,-4.09,)|
Show InChI InChI=1S/C30H39FN6O/c1-19(2)32-30-35-27-15-10-20(24-8-4-5-9-26(24)31)17-25(27)28(36-30)33-22-11-13-23(14-12-22)34-29(38)21-7-6-16-37(3)18-21/h4-5,8-10,15,17,19,21-23H,6-7,11-14,16,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t21?,22-,23-
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n/an/an/an/a 220n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262482
PNG
(CHEMBL4065612)
Show SMILES CCNc1nc(NCc2cccnc2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C20H19N5S/c1-2-22-20-24-16-11-17(15-8-4-3-5-9-15)26-18(16)19(25-20)23-13-14-7-6-10-21-12-14/h3-12H,2,13H2,1H3,(H2,22,23,24,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262427
PNG
(CHEMBL4060401)
Show SMILES COc1cccc(c1)-c1ccc2nc(NC(C)C)nc(N[C@H]3CC[C@@H](CC3)NC(=O)C3CCCN(C)C3)c2c1 |r,wU:24.28,wD:21.21,(48.54,-18.83,;49.87,-18.06,;51.21,-18.82,;51.21,-20.36,;52.56,-21.13,;53.88,-20.36,;53.88,-18.82,;52.54,-18.05,;55.2,-18.05,;55.2,-16.5,;56.53,-15.74,;57.87,-16.51,;59.19,-15.73,;60.53,-16.5,;61.86,-15.72,;63.19,-16.49,;64.53,-15.71,;63.2,-18.03,;60.53,-18.05,;59.2,-18.82,;59.19,-20.36,;60.53,-21.13,;60.52,-22.67,;61.85,-23.44,;63.19,-22.67,;63.19,-21.13,;61.86,-20.35,;64.52,-23.45,;65.85,-22.68,;65.86,-21.14,;67.18,-23.46,;68.52,-22.69,;69.85,-23.47,;69.84,-25.02,;68.5,-25.77,;68.48,-27.31,;67.17,-25,;57.86,-18.05,;56.53,-18.82,)|
Show InChI InChI=1S/C31H42N6O2/c1-20(2)32-31-35-28-15-10-22(21-7-5-9-26(17-21)39-4)18-27(28)29(36-31)33-24-11-13-25(14-12-24)34-30(38)23-8-6-16-37(3)19-23/h5,7,9-10,15,17-18,20,23-25H,6,8,11-14,16,19H2,1-4H3,(H,34,38)(H2,32,33,35,36)/t23?,24-,25-
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n/an/an/an/a 1.10E+3n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262433
PNG
(CHEMBL4093257)
Show SMILES CC(C)Nc1nc(NCc2cccnc2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C21H21N5S/c1-14(2)24-21-25-17-11-18(16-8-4-3-5-9-16)27-19(17)20(26-21)23-13-15-7-6-10-22-12-15/h3-12,14H,13H2,1-2H3,(H2,23,24,25,26)
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n/an/an/an/a 7.90E+3n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262452
PNG
(CHEMBL4064109)
Show SMILES CC(C)Nc1nc(NCc2cccc(NC(=O)C3CCCN(C)C3)c2)c2cc(ccc2n1)-c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-21(2)33-31-35-28-15-14-24(23-10-5-4-6-11-23)18-27(28)29(36-31)32-19-22-9-7-13-26(17-22)34-30(38)25-12-8-16-37(3)20-25/h4-7,9-11,13-15,17-18,21,25H,8,12,16,19-20H2,1-3H3,(H,34,38)(H2,32,33,35,36)
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n/an/an/an/a 720n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262458
PNG
(CHEMBL4073156)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1 |r,wU:11.14,wD:8.7,(18.04,-4.15,;16.71,-4.93,;16.71,-6.47,;15.37,-4.16,;14.04,-4.94,;14.05,-6.49,;12.71,-7.26,;12.71,-8.8,;14.04,-9.57,;14.03,-11.11,;15.36,-11.88,;16.7,-11.11,;16.7,-9.57,;15.37,-8.79,;18.03,-11.89,;19.37,-11.13,;19.37,-9.59,;20.7,-11.9,;22.03,-11.13,;23.36,-11.92,;23.35,-13.46,;22.01,-14.22,;22,-15.76,;20.69,-13.44,;11.37,-6.49,;10.05,-7.26,;8.72,-6.49,;8.71,-4.95,;10.05,-4.18,;11.38,-4.95,;12.7,-4.18,;7.39,-7.26,;6.05,-6.49,;4.72,-7.27,;4.72,-8.81,;6.07,-9.57,;7.4,-8.8,)|
Show InChI InChI=1S/C30H40N6O/c1-20(2)31-30-34-27-16-11-22(21-8-5-4-6-9-21)18-26(27)28(35-30)32-24-12-14-25(15-13-24)33-29(37)23-10-7-17-36(3)19-23/h4-6,8-9,11,16,18,20,23-25H,7,10,12-15,17,19H2,1-3H3,(H,33,37)(H2,31,32,34,35)/t23?,24-,25-
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n/an/an/an/a 170n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262432
PNG
(CHEMBL4103433)
Show SMILES CC(C)CNc1nc(NCc2cccnc2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C22H23N5S/c1-15(2)12-25-22-26-18-11-19(17-8-4-3-5-9-17)28-20(18)21(27-22)24-14-16-7-6-10-23-13-16/h3-11,13,15H,12,14H2,1-2H3,(H2,24,25,26,27)
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n/an/an/an/a 2.20E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262484
PNG
(CHEMBL4062309)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2ccccc2n1 |r,wU:11.14,wD:8.7,(16.67,-33.09,;15.34,-33.86,;15.34,-35.4,;14,-33.1,;12.67,-33.87,;12.68,-35.42,;11.34,-36.19,;11.34,-37.73,;12.67,-38.5,;12.67,-40.04,;13.99,-40.81,;15.33,-40.05,;15.33,-38.51,;14,-37.73,;16.66,-40.82,;18,-40.06,;18,-38.52,;19.33,-40.83,;20.66,-40.07,;21.99,-40.85,;21.98,-42.39,;20.64,-43.15,;20.63,-44.69,;19.32,-42.37,;10.01,-35.42,;8.68,-36.19,;7.35,-35.43,;7.34,-33.88,;8.68,-33.11,;10.01,-33.88,;11.34,-33.11,)|
Show InChI InChI=1S/C24H36N6O/c1-16(2)25-24-28-21-9-5-4-8-20(21)22(29-24)26-18-10-12-19(13-11-18)27-23(31)17-7-6-14-30(3)15-17/h4-5,8-9,16-19H,6-7,10-15H2,1-3H3,(H,27,31)(H2,25,26,28,29)/t17?,18-,19-
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n/an/an/an/a>5.00E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262431
PNG
(CHEMBL4085505)
Show SMILES CC(C)Nc1nc(NCc2ccccn2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C21H21N5S/c1-14(2)24-21-25-17-12-18(15-8-4-3-5-9-15)27-19(17)20(26-21)23-13-16-10-6-7-11-22-16/h3-12,14H,13H2,1-2H3,(H2,23,24,25,26)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50262473
PNG
(CHEMBL4071795)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(F)c1 |r,wU:11.14,wD:8.7,(40.9,-16.35,;39.57,-17.12,;39.57,-18.66,;38.23,-16.36,;36.9,-17.14,;36.9,-18.69,;35.57,-19.46,;35.57,-21,;36.9,-21.77,;36.89,-23.3,;38.22,-24.07,;39.56,-23.31,;39.56,-21.77,;38.23,-20.99,;40.89,-24.09,;42.22,-23.32,;42.23,-21.78,;43.55,-24.1,;44.89,-23.33,;46.22,-24.11,;46.21,-25.65,;44.87,-26.41,;44.86,-27.95,;43.54,-25.64,;34.23,-18.69,;32.91,-19.45,;31.57,-18.69,;31.57,-17.14,;32.91,-16.37,;34.24,-17.15,;35.56,-16.37,;30.25,-19.46,;30.25,-20.99,;28.93,-21.77,;27.58,-21,;27.58,-19.46,;26.25,-18.69,;28.91,-18.69,)|
Show InChI InChI=1S/C30H39FN6O/c1-19(2)32-30-35-27-14-9-21(20-6-4-8-23(31)16-20)17-26(27)28(36-30)33-24-10-12-25(13-11-24)34-29(38)22-7-5-15-37(3)18-22/h4,6,8-9,14,16-17,19,22,24-25H,5,7,10-13,15,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t22?,24-,25-
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n/an/an/an/a 73n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...

Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%