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6 similar compounds to monomer 50269978

Compile data set for download or QSAR
Wt: 2136.4
BDBM50269972
Wt: 2109.4
BDBM50269977
Wt: 2009.1
BDBM50318531
Wt: 2064.3
BDBM50318532
Wt: 1920.1
BDBM50318533
Wt: 1950.1
BDBM50318534

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50269972,50269977,50318531,50318532,50318533,50318534   
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))
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))
BDBM50269972
PNG
(Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Ly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)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](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H146N26O23S/c1-11-54(6)85(128-96(145)73(35-38-82(133)134)119-89(138)57(9)116-100(149)84(53(4)5)127-87(136)55(7)104)101(150)123-72(34-37-81(106)132)94(143)124-75(44-52(2)3)97(146)122-74(39-43-152-10)95(144)126-77(46-59-50-110-51-114-59)99(148)121-71(33-36-80(105)131)93(142)120-69(28-18-21-42-112-102(108)109)91(140)115-56(8)88(137)118-70(27-16-19-40-103)92(141)125-76(45-58-49-113-67-25-15-14-22-62(58)67)98(147)117-68(86(107)135)26-17-20-41-111-90(139)64-24-13-12-23-63(64)83-65-31-29-60(129)47-78(65)151-79-48-61(130)30-32-66(79)83/h12-15,22-25,29-32,47-57,68-77,84-85,113,129H,11,16-21,26-28,33-46,103-104H2,1-10H3,(H2,105,131)(H2,106,132)(H2,107,135)(H,110,114)(H,111,139)(H,115,140)(H,116,149)(H,117,147)(H,118,137)(H,119,138)(H,120,142)(H,121,148)(H,122,146)(H,123,150)(H,124,143)(H,125,141)(H,126,144)(H,127,136)(H,128,145)(H,133,134)(H4,108,109,112)/t54-,55-,56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.01E+4n/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 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))
BDBM50269972
PNG
(Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Ly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)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](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H146N26O23S/c1-11-54(6)85(128-96(145)73(35-38-82(133)134)119-89(138)57(9)116-100(149)84(53(4)5)127-87(136)55(7)104)101(150)123-72(34-37-81(106)132)94(143)124-75(44-52(2)3)97(146)122-74(39-43-152-10)95(144)126-77(46-59-50-110-51-114-59)99(148)121-71(33-36-80(105)131)93(142)120-69(28-18-21-42-112-102(108)109)91(140)115-56(8)88(137)118-70(27-16-19-40-103)92(141)125-76(45-58-49-113-67-25-15-14-22-62(58)67)98(147)117-68(86(107)135)26-17-20-41-111-90(139)64-24-13-12-23-63(64)83-65-31-29-60(129)47-78(65)151-79-48-61(130)30-32-66(79)83/h12-15,22-25,29-32,47-57,68-77,84-85,113,129H,11,16-21,26-28,33-46,103-104H2,1-10H3,(H2,105,131)(H2,106,132)(H2,107,135)(H,110,114)(H,111,139)(H,115,140)(H,116,149)(H,117,147)(H,118,137)(H,119,138)(H,120,142)(H,121,148)(H,122,146)(H,123,150)(H,124,143)(H,125,141)(H,126,144)(H,127,136)(H,128,145)(H,133,134)(H4,108,109,112)/t54-,55-,56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/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/an/a 1.00E+3n/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 1 receptor (PTH1R)


(Rattus norvegicus (Rat))
BDBM50269972
PNG
(Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Ly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)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](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H146N26O23S/c1-11-54(6)85(128-96(145)73(35-38-82(133)134)119-89(138)57(9)116-100(149)84(53(4)5)127-87(136)55(7)104)101(150)123-72(34-37-81(106)132)94(143)124-75(44-52(2)3)97(146)122-74(39-43-152-10)95(144)126-77(46-59-50-110-51-114-59)99(148)121-71(33-36-80(105)131)93(142)120-69(28-18-21-42-112-102(108)109)91(140)115-56(8)88(137)118-70(27-16-19-40-103)92(141)125-76(45-58-49-113-67-25-15-14-22-62(58)67)98(147)117-68(86(107)135)26-17-20-41-111-90(139)64-24-13-12-23-63(64)83-65-31-29-60(129)47-78(65)151-79-48-61(130)30-32-66(79)83/h12-15,22-25,29-32,47-57,68-77,84-85,113,129H,11,16-21,26-28,33-46,103-104H2,1-10H3,(H2,105,131)(H2,106,132)(H2,107,135)(H,110,114)(H,111,139)(H,115,140)(H,116,149)(H,117,147)(H,118,137)(H,119,138)(H,120,142)(H,121,148)(H,122,146)(H,123,150)(H,124,143)(H,125,141)(H,126,144)(H,127,136)(H,128,145)(H,133,134)(H4,108,109,112)/t54-,55-,56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 251n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at rat PTH/PTH-related peptide receptor expressed in rat UMR106 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
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318534
PNG
((7S,24S,27S,30S,33S,36S,39S,42S)-36-((1H-imidazol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O
Show InChI InChI=1/C91H136N24O24/c1-48(2)41-65(111-85(133)66(42-53-45-98-47-104-53)112-87(135)75(49(3)4)114-83(131)64(33-34-72(123)124)110-88(136)76(51(6)117)115-82(130)63(26-20-40-103-91(96)97)107-78(126)50(5)105-52(7)118)84(132)109-62(25-19-39-102-90(94)95)80(128)108-61(24-12-14-35-92)81(129)113-67(46-116)79(127)100-37-16-8-10-27-70(121)99-36-15-9-11-28-71(122)106-60(77(93)125)23-13-17-38-101-86(134)74-58(21-18-22-59(74)89(137)138)73-56-31-29-54(119)43-68(56)139-69-44-55(120)30-32-57(69)73/h18,21-22,29-32,43-45,47-51,60-67,75-76,116-117,119H,8-17,19-20,23-28,33-42,46,92H2,1-7H3,(H2,93,125)(H,98,104)(H,99,121)(H,100,127)(H,101,134)(H,105,118)(H,106,122)(H,107,126)(H,108,128)(H,109,132)(H,110,136)(H,111,133)(H,112,135)(H,113,129)(H,114,131)(H,115,130)(H,123,124)(H,137,138)(H4,94,95,102)(H4,96,97,103)/t50-,51+,60-,61-,62-,63-,64-,65-,66-,67-,75-,76-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

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



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269972
PNG
(Ala-Val-Ala-Glu-lle-Gln-Leu-Met-His-Gln-Har-Ala-Ly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)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](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
Show InChI InChI=1/C102H146N26O23S/c1-11-54(6)85(128-96(145)73(35-38-82(133)134)119-89(138)57(9)116-100(149)84(53(4)5)127-87(136)55(7)104)101(150)123-72(34-37-81(106)132)94(143)124-75(44-52(2)3)97(146)122-74(39-43-152-10)95(144)126-77(46-59-50-110-51-114-59)99(148)121-71(33-36-80(105)131)93(142)120-69(28-18-21-42-112-102(108)109)91(140)115-56(8)88(137)118-70(27-16-19-40-103)92(141)125-76(45-58-49-113-67-25-15-14-22-62(58)67)98(147)117-68(86(107)135)26-17-20-41-111-90(139)64-24-13-12-23-63(64)83-65-31-29-60(129)47-78(65)151-79-48-61(130)30-32-66(79)83/h12-15,22-25,29-32,47-57,68-77,84-85,113,129H,11,16-21,26-28,33-46,103-104H2,1-10H3,(H2,105,131)(H2,106,132)(H2,107,135)(H,110,114)(H,111,139)(H,115,140)(H,116,149)(H,117,147)(H,118,137)(H,119,138)(H,120,142)(H,121,148)(H,122,146)(H,123,150)(H,124,143)(H,125,141)(H,126,144)(H,127,136)(H,128,145)(H,133,134)(H4,108,109,112)/t54-,55-,56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-/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/an/a 53n/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
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318531
PNG
((7S,19S,22S,25S,28S,31S,34S,37S)-31-((1H-imidazol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O
Show InChI InChI=1/C89H129N27O27/c1-43(2)31-60(113-83(137)61(32-48-35-96-42-104-48)114-86(140)73(44(3)4)116-81(135)59(25-26-70(126)127)110-76(130)45(5)105-78(132)57(19-13-29-98-88(92)93)109-75(129)46(6)106-84(138)63(41-118)108-68(124)38-100-47(7)119)82(136)112-58(20-14-30-99-89(94)95)79(133)111-56(18-8-10-27-90)80(134)115-62(40-117)77(131)103-37-67(123)101-36-66(122)102-39-69(125)107-55(74(91)128)17-9-11-28-97-85(139)72-53(15-12-16-54(72)87(141)142)71-51-23-21-49(120)33-64(51)143-65-34-50(121)22-24-52(65)71/h12,15-16,21-24,33-35,42-46,55-63,73,117-118,120H,8-11,13-14,17-20,25-32,36-41,90H2,1-7H3,(H2,91,128)(H,96,104)(H,97,139)(H,100,119)(H,101,123)(H,102,122)(H,103,131)(H,105,132)(H,106,138)(H,107,125)(H,108,124)(H,109,129)(H,110,130)(H,111,133)(H,112,136)(H,113,137)(H,114,140)(H,115,134)(H,116,135)(H,126,127)(H,141,142)(H4,92,93,98)(H4,94,95,99)/t45-,46-,55-,56-,57-,58-,59-,60-,61-,62-,63-,73-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 860n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318532
PNG
((7S,24S,27S,30S,33S,36S,39S,42S)-36-((1H-imidazol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O
Show InChI InChI=1/C95H142N26O26/c1-50(2)41-67(118-89(141)68(42-55-45-102-49-109-55)119-92(144)79(51(3)4)121-87(139)66(33-34-76(130)131)115-82(134)52(5)110-84(136)64(25-19-39-106-94(98)99)114-81(133)53(6)111-90(142)70(48-123)113-75(129)46-108-54(7)124)88(140)117-65(26-20-40-107-95(100)101)85(137)116-63(24-12-14-35-96)86(138)120-69(47-122)83(135)104-37-16-8-10-27-73(127)103-36-15-9-11-28-74(128)112-62(80(97)132)23-13-17-38-105-91(143)78-60(21-18-22-61(78)93(145)146)77-58-31-29-56(125)43-71(58)147-72-44-57(126)30-32-59(72)77/h18,21-22,29-32,43-45,49-53,62-70,79,122-123,125H,8-17,19-20,23-28,33-42,46-48,96H2,1-7H3,(H2,97,132)(H,102,109)(H,103,127)(H,104,135)(H,105,143)(H,108,124)(H,110,136)(H,111,142)(H,112,128)(H,113,129)(H,114,133)(H,115,134)(H,116,137)(H,117,140)(H,118,141)(H,119,144)(H,120,138)(H,121,139)(H,130,131)(H,145,146)(H4,98,99,106)(H4,100,101,107)/t52-,53-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50318533
PNG
((7S,24S,27S,30S,33S,36S,39S,42S)-36-((1H-imidazol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O
Show InChI InChI=1/C90H134N24O23/c1-48(2)41-65(111-85(132)66(42-53-45-97-47-103-53)112-87(134)75(49(3)4)114-83(130)64(33-34-72(121)122)108-78(125)51(6)105-80(127)62(25-19-39-101-89(93)94)107-77(124)50(5)104-52(7)116)84(131)110-63(26-20-40-102-90(95)96)81(128)109-61(24-12-14-35-91)82(129)113-67(46-115)79(126)99-37-16-8-10-27-70(119)98-36-15-9-11-28-71(120)106-60(76(92)123)23-13-17-38-100-86(133)74-58(21-18-22-59(74)88(135)136)73-56-31-29-54(117)43-68(56)137-69-44-55(118)30-32-57(69)73/h18,21-22,29-32,43-45,47-51,60-67,75,115,117H,8-17,19-20,23-28,33-42,46,91H2,1-7H3,(H2,92,123)(H,97,103)(H,98,119)(H,99,126)(H,100,133)(H,104,116)(H,105,127)(H,106,120)(H,107,124)(H,108,125)(H,109,128)(H,110,131)(H,111,132)(H,112,134)(H,113,129)(H,114,130)(H,121,122)(H,135,136)(H4,93,94,101)(H4,95,96,102)/t50-,51-,60-,61-,62-,63-,64-,65-,66-,67-,75-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay


J Med Chem 53: 5179-85 (2010)


Article DOI: 10.1021/jm100139b
BindingDB Entry DOI: 10.7270/Q2086678
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