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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 = 'BDBM50269974'   
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))
BDBM50269974
PNG
(Ala-Val-Ala-Glu-lle-Gln-Leu-Nle-His-Gln-Har-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@H](C)NC(=O)[C@@H](NC(=O)[C@H](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](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1/C75H125N23O19/c1-11-13-18-47(91-71(114)54(33-38(3)4)95-69(112)51(26-29-57(79)101)93-74(117)60(40(7)12-2)98-70(113)52(27-30-58(102)103)89-64(107)43(10)87-73(116)59(39(5)6)97-62(105)41(8)77)67(110)96-55(35-45-36-83-37-85-45)72(115)92-50(25-28-56(78)100)68(111)90-48(20-15-17-32-84-75(81)82)65(108)86-42(9)63(106)88-49(19-14-16-31-76)66(109)94-53(61(80)104)34-44-21-23-46(99)24-22-44/h21-24,36-43,47-55,59-60,99H,11-20,25-35,76-77H2,1-10H3,(H2,78,100)(H2,79,101)(H2,80,104)(H,83,85)(H,86,108)(H,87,116)(H,88,106)(H,89,107)(H,90,111)(H,91,114)(H,92,115)(H,93,117)(H,94,109)(H,95,112)(H,96,110)(H,97,105)(H,98,113)(H,102,103)(H4,81,82,84)/t40-,41-,42-,43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 344n/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