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BDBM50139903 Ac-(Glu-Ala-His-Lys)-Dab-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2::CHEMBL267115

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](N)CCNC(=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=ONYNKPPLKHRQJD-LLRVVUEMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50139903   
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))
BDBM50139903
PNG
(Ac-(Glu-Ala-His-Lys)-Dab-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](N)CCNC(=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/C70H122N20O16/c1-11-40(7)57(59(73)96)89-69(106)58(41(8)12-2)90-67(104)51(26-28-56(94)95)83-61(98)45(39(5)6)20-13-14-24-54(92)52(34-38(3)4)87-66(103)48(21-15-17-30-71)86-65(102)49(23-19-32-79-70(74)75)84-62(99)46(72)29-33-78-63(100)47-22-16-18-31-77-55(93)27-25-50(82-43(10)91)64(101)81-42(9)60(97)88-53(68(105)85-47)35-44-36-76-37-80-44/h36-42,45-53,57-58H,11-35,71-72H2,1-10H3,(H2,73,96)(H,76,80)(H,77,93)(H,78,100)(H,81,101)(H,82,91)(H,83,98)(H,84,99)(H,85,105)(H,86,102)(H,87,103)(H,88,97)(H,89,106)(H,90,104)(H,94,95)(H4,74,75,79)/t40-,41-,42-,45?,46+,47-,48-,49-,50+,51-,52-,53-,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