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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin releasing factor receptor 1' and Ligand = 'BDBM50139914'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139914
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-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(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H122N18O19/c1-12-39(7)57(59(73)97)86-69(107)58(40(8)13-2)87-66(104)48(27-31-56(95)96)80-61(99)43(38(5)6)21-14-15-25-52(90)49(35-37(3)4)84-63(101)44(22-16-18-32-71)81-62(100)46(24-20-34-77-70(74)75)83-67(105)50(36-53(72)91)85-64(102)45-23-17-19-33-76-54(92)29-28-51(88(11)42(10)89)68(106)78-41(9)60(98)79-47(65(103)82-45)26-30-55(93)94/h37-41,43-51,57-58H,12-36,71H2,1-11H3,(H2,72,91)(H2,73,97)(H,76,92)(H,78,106)(H,79,98)(H,80,99)(H,81,100)(H,82,103)(H,83,105)(H,84,101)(H,85,102)(H,86,107)(H,87,104)(H,93,94)(H,95,96)(H4,74,75,77)/t39-,40-,41-,43?,44-,45-,46-,47-,48-,49-,50-,51+,57-,58-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
130n/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