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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Parathyroid hormone 1 receptor (PTH1R)' and Ligand = 'BDBM50269971'   
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
Parathyroid hormone 1 receptor (PTH1R)


(Rattus norvegicus (Rat))
BDBM50269971
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(N)=O
Show InChI InChI=1/C76H124N24O18S/c1-11-40(6)61(100-71(114)52(24-27-59(103)104)91-65(108)43(9)89-74(117)60(39(4)5)99-63(106)41(7)78)75(118)95-51(23-26-58(80)102)69(112)97-55(32-38(2)3)72(115)94-53(28-31-119-10)70(113)98-56(34-45-36-84-37-87-45)73(116)93-50(22-25-57(79)101)68(111)92-48(21-15-17-30-85-76(82)83)66(109)88-42(8)64(107)90-49(20-14-16-29-77)67(110)96-54(62(81)105)33-44-35-86-47-19-13-12-18-46(44)47/h12-13,18-19,35-43,48-56,60-61,86H,11,14-17,20-34,77-78H2,1-10H3,(H2,79,101)(H2,80,102)(H2,81,105)(H,84,87)(H,88,109)(H,89,117)(H,90,107)(H,91,108)(H,92,111)(H,93,116)(H,94,115)(H,95,118)(H,96,110)(H,97,112)(H,98,113)(H,99,106)(H,100,114)(H,103,104)(H4,82,83,85)/t40-,41-,42-,43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 155n/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