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3 similar compounds to monomer 50269972

Compile data set for download or QSAR
Wt: 2109.4
BDBM50269977
Wt: 1981.2
BDBM50269978
Wt: 4580.2
BDBM50033766

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50269977,50269978,50033766   
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
Coagulation factor XIII


(Homo sapiens (Human))
BDBM50033766
PNG
(CHEMBL3358149)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1/C207H289N51O56S6/c1-14-104(9)169(253-163(268)93-221-175(281)128(57-63-157(210)262)230-190(296)140(83-113-91-217-100-223-113)243-188(294)138(81-111-89-219-123-40-23-21-36-117(111)123)241-182(288)132(61-67-164(269)270)231-177(283)126(43-26-28-70-209)229-196(302)149(98-319)251-201(307)152-46-31-72-255(152)202(308)143(78-103(7)8)245-186(292)135(77-102(5)6)238-178(284)125(42-25-27-69-208)228-174(280)120-39-20-19-38-119(120)168-121-55-53-115(260)84-155(121)314-156-85-116(261)54-56-122(156)168)204(310)257-74-33-48-154(257)200(306)246-144(86-161(214)266)203(309)256-73-30-45-151(256)198(304)234-127(44-29-71-218-207(215)216)179(285)249-148(97-318)197(303)242-139(82-112-90-220-124-41-24-22-37-118(112)124)189(295)247-145(94-315)176(282)222-92-162(267)224-106(11)171(277)237-141(87-166(273)274)192(298)239-134(76-101(3)4)185(291)233-133(62-68-165(271)272)183(289)248-146(95-316)194(300)225-107(12)172(278)227-129(58-64-158(211)263)180(286)244-142(88-167(275)276)191(297)232-130(59-65-159(212)264)181(287)240-136(80-110-49-51-114(259)52-50-110)187(293)250-147(96-317)195(301)226-108(13)173(279)236-137(79-109-34-17-16-18-35-109)193(299)254-170(105(10)15-2)205(311)258-75-32-47-153(258)199(305)235-131(60-66-160(213)265)184(290)252-150(99-320)206(312)313/h16-24,34-41,49-56,84-85,89-91,100-108,125-154,169-170,219-220,259-260,315-320H,14-15,25-33,42-48,57-83,86-88,92-99,208-209H2,1-13H3,(H2,210,262)(H2,211,263)(H2,212,264)(H2,213,265)(H2,214,266)(H,217,223)(H,221,281)(H,222,282)(H,224,267)(H,225,300)(H,226,301)(H,227,278)(H,228,280)(H,229,302)(H,230,296)(H,231,283)(H,232,297)(H,233,291)(H,234,304)(H,235,305)(H,236,279)(H,237,277)(H,238,284)(H,239,298)(H,240,287)(H,241,288)(H,242,303)(H,243,294)(H,244,286)(H,245,292)(H,246,306)(H,247,295)(H,248,289)(H,249,285)(H,250,293)(H,251,307)(H,252,290)(H,253,268)(H,254,299)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,312,313)(H4,215,216,218)/t104-,105-,106-,107-,108-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,169-,170-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a<100n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to recombinant F13A (unknown origin) by microscale thermophoresis method


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269978
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269977
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98.2n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269977
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ...


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269977
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in SAOS2 cells assessed as cAMP formation


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269978
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.920n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ...


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269978
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.20n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in SAOS2 cells assessed as cAMP formation


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair