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BDBM50139902 Ac-(Glu-Ala-His-Lys)-Asp-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2::CHEMBL386893

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O

InChI Key: InChIKey=KIKCLWFYDAXMEQ-OHUPJPCWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139902   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139902
PNG
(Ac-(Glu-Ala-His-Lys)-Asp-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H119N19O18/c1-11-39(7)57(59(72)97)88-69(107)58(40(8)12-2)89-66(104)49(26-28-55(93)94)81-61(99)44(38(5)6)20-13-14-24-53(91)50(32-37(3)4)85-64(102)45(21-15-17-29-71)82-63(101)47(23-19-31-77-70(73)74)84-68(106)52(34-56(95)96)87-65(103)46-22-16-18-30-76-54(92)27-25-48(80-42(10)90)62(100)79-41(9)60(98)86-51(67(105)83-46)33-43-35-75-36-78-43/h35-41,44-52,57-58H,11-34,71H2,1-10H3,(H2,72,97)(H,75,78)(H,76,92)(H,79,100)(H,80,90)(H,81,99)(H,82,101)(H,83,105)(H,84,106)(H,85,102)(H,86,98)(H,87,103)(H,88,107)(H,89,104)(H,93,94)(H,95,96)(H4,73,74,77)/t39-,40-,41-,44?,45-,46-,47-,48+,49-,50-,51-,52-,57-,58-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair