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Compile Data Set for Download or QSAR

Found 10 hits from Chugai Pharmaceutical Co., Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50318885
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/s2
PDB
MMDB

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PC cid
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n/an/a 0.0800n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of 125I-PTH (1 to 15 residues) from human PTHR1 expressed in African green monkey COS7 cell membranes at 300 uM after 90 mins by gamma c...


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457781
PNG
(CHEMBL4208963)
Show SMILES C[C@H]1CC[C@@H](CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2c(C)cc(cc2C)N(C)C(N)=O)C(=O)N1
Show InChI InChI=1S/C26H39N5O4S/c1-17-5-7-20(8-6-17)23-28-24(32)26(29-23)10-12-31(13-11-26)36(34,35)14-9-22-18(2)15-21(16-19(22)3)30(4)25(27)33/h15-17,20H,5-14H2,1-4H3,(H2,27,33)(H,28,29,32)/t17-,20-
PDB
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n/an/a 9.37E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of 125I-PTH (1 to 15 residues) from human PTHR1 expressed in African green monkey COS7 cell membranes at 300 uM after 90 mins by gamma c...


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50318885
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/s2
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/an/an/a 2.5n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457781
PNG
(CHEMBL4208963)
Show SMILES C[C@H]1CC[C@@H](CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2c(C)cc(cc2C)N(C)C(N)=O)C(=O)N1
Show InChI InChI=1S/C26H39N5O4S/c1-17-5-7-20(8-6-17)23-28-24(32)26(29-23)10-12-31(13-11-26)36(34,35)14-9-22-18(2)15-21(16-19(22)3)30(4)25(27)33/h15-17,20H,5-14H2,1-4H3,(H2,27,33)(H,28,29,32)/t17-,20-
PDB
MMDB

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n/an/an/an/a 1.20E+4n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457785
PNG
(CHEMBL4203200)
Show SMILES CC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)C2CCCCC2)c(C)c1
Show InChI InChI=1S/C24H34N4O4S/c1-17-16-21(25-18(2)29)9-8-19(17)10-15-33(31,32)28-13-11-24(12-14-28)23(30)26-22(27-24)20-6-4-3-5-7-20/h8-9,16,20H,3-7,10-15H2,1-2H3,(H,25,29)(H,26,27,30)
PDB
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n/an/an/an/a 5.00E+4n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457783
PNG
(CHEMBL4214849)
Show SMILES Cc1ccccc1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)C1CCCCC1
Show InChI InChI=1S/C22H31N3O3S/c1-17-7-5-6-8-18(17)11-16-29(27,28)25-14-12-22(13-15-25)21(26)23-20(24-22)19-9-3-2-4-10-19/h5-8,19H,2-4,9-16H2,1H3,(H,23,24,26)
PDB
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n/an/an/an/a>1.00E+6n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457784
PNG
(CHEMBL4204089)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)C1CCCCC1)N1CCNC1=O
Show InChI InChI=1S/C26H37N5O4S/c1-18-16-21(31-14-11-27-25(31)33)17-19(2)22(18)8-15-36(34,35)30-12-9-26(10-13-30)24(32)28-23(29-26)20-6-4-3-5-7-20/h16-17,20H,3-15H2,1-2H3,(H,27,33)(H,28,29,32)
PDB
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n/an/an/an/a>1.00E+6n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457780
PNG
(CHEMBL4206600)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H16Cl3N3O3S/c20-12-2-1-3-14(10-12)29(27,28)25-8-6-19(7-9-25)18(26)23-17(24-19)15-5-4-13(21)11-16(15)22/h1-5,10-11H,6-9H2,(H,23,24,26)
PDB
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n/an/an/an/a>1.00E+6n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457779
PNG
(CHEMBL4213349)
Show SMILES CN(C(N)=O)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)C2CCCCC2)c(C)c1
Show InChI InChI=1S/C25H37N5O4S/c1-17-15-20(29(3)24(26)32)16-18(2)21(17)9-14-35(33,34)30-12-10-25(11-13-30)23(31)27-22(28-25)19-7-5-4-6-8-19/h15-16,19H,4-14H2,1-3H3,(H2,26,32)(H,27,28,31)
PDB
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n/an/an/an/a 6.70E+4n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50457782
PNG
(CHEMBL4208427)
Show SMILES CC(=O)Nc1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)C2CCCCC2)c(C)c1
Show InChI InChI=1S/C25H36N4O4S/c1-17-15-21(26-19(3)30)16-18(2)22(17)9-14-34(32,33)29-12-10-25(11-13-29)24(31)27-23(28-25)20-7-5-4-6-8-20/h15-16,20H,4-14H2,1-3H3,(H,26,30)(H,27,28,31)
PDB
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n/an/an/an/a 2.60E+4n/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair