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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1' and Ligand = 'BDBM50593564'   
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
Activin receptor type-1


(Homo sapiens (Human))
BDBM50593564
PNG
(CHEMBL5196823)
Show SMILES C[C@]1(O)CC[C@@H](CC1)NC(=O)c1nc(cnc1N)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:5.8,wD:1.1,(-2.45,-2.72,;-4,-2.72,;-3.23,-4.06,;-4,-1.18,;-5.33,-.41,;-6.66,-1.18,;-6.66,-2.72,;-5.33,-3.49,;-8,-.41,;-8,1.13,;-9.33,1.9,;-6.66,1.9,;-5.33,1.13,;-4,1.9,;-4,3.44,;-5.33,4.21,;-6.66,3.44,;-8,4.21,;-2.67,1.13,;-2.67,-.41,;-1.33,-1.18,;-0,-.41,;1.33,-1.18,;2.66,-.41,;4,-1.18,;5.33,-.41,;5.33,1.13,;4,1.9,;2.66,1.13,;6.66,1.9,;8,1.13,;9.33,1.9,;9.33,3.44,;8,4.21,;6.66,3.44,;-0,1.13,;-1.33,1.9,;-1.33,3.44,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128667
BindingDB Entry DOI: 10.7270/Q2125XN6
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50593564
PNG
(CHEMBL5196823)
Show SMILES C[C@]1(O)CC[C@@H](CC1)NC(=O)c1nc(cnc1N)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:5.8,wD:1.1,(-2.45,-2.72,;-4,-2.72,;-3.23,-4.06,;-4,-1.18,;-5.33,-.41,;-6.66,-1.18,;-6.66,-2.72,;-5.33,-3.49,;-8,-.41,;-8,1.13,;-9.33,1.9,;-6.66,1.9,;-5.33,1.13,;-4,1.9,;-4,3.44,;-5.33,4.21,;-6.66,3.44,;-8,4.21,;-2.67,1.13,;-2.67,-.41,;-1.33,-1.18,;-0,-.41,;1.33,-1.18,;2.66,-.41,;4,-1.18,;5.33,-.41,;5.33,1.13,;4,1.9,;2.66,1.13,;6.66,1.9,;8,1.13,;9.33,1.9,;9.33,3.44,;8,4.21,;6.66,3.44,;-0,1.13,;-1.33,1.9,;-1.33,3.44,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128667
BindingDB Entry DOI: 10.7270/Q2125XN6
More data for this
Ligand-Target Pair