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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'broennimann' and Initial = 'v'   
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))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 8n/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))
BDBM50593545
PNG
(CHEMBL5182576)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1
PDB

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n/an/a 10n/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))
BDBM50593559
PNG
(CHEMBL5189710)
Show SMILES CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:24.25,wD:27.29,(8.66,.77,;7.33,1.54,;7.33,3.08,;6,.77,;6,-.77,;4.66,-1.54,;3.33,-.77,;2,-1.54,;.66,-.77,;-.66,-1.53,;-2,-.77,;-2,.77,;-.67,1.54,;.66,.77,;-3.33,1.54,;-3.33,3.08,;-4.66,3.85,;-6,3.08,;-7.33,3.85,;-6,1.54,;-4.66,.78,;-7.33,.77,;-8.66,1.54,;-7.33,-.77,;-6,-1.54,;-4.66,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-4.66,-3.85,;-6,-3.08,;3.33,.77,;4.66,1.54,)|
PDB

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n/an/a 11n/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))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB

KEGG

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PC sid
UniChem
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n/an/a 12n/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))
BDBM50593559
PNG
(CHEMBL5189710)
Show SMILES CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:24.25,wD:27.29,(8.66,.77,;7.33,1.54,;7.33,3.08,;6,.77,;6,-.77,;4.66,-1.54,;3.33,-.77,;2,-1.54,;.66,-.77,;-.66,-1.53,;-2,-.77,;-2,.77,;-.67,1.54,;.66,.77,;-3.33,1.54,;-3.33,3.08,;-4.66,3.85,;-6,3.08,;-7.33,3.85,;-6,1.54,;-4.66,.78,;-7.33,.77,;-8.66,1.54,;-7.33,-.77,;-6,-1.54,;-4.66,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-4.66,-3.85,;-6,-3.08,;3.33,.77,;4.66,1.54,)|
PDB

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n/an/a 14n/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))
BDBM50593561
PNG
(CHEMBL5200388)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,wD:13.14,(-7.88,3.85,;-6.55,3.08,;-5.21,3.85,;-3.89,3.08,;-3.89,1.54,;-5.21,.78,;-6.55,1.54,;-7.88,.77,;-9.22,1.54,;-7.88,-.77,;-6.55,-1.54,;-5.21,-.77,;-3.88,-1.54,;-3.88,-3.08,;-2.55,-3.85,;-5.21,-3.85,;-6.55,-3.08,;-2.55,.77,;-2.55,-.77,;-1.21,-1.53,;.11,-.77,;1.44,-1.54,;2.78,-.77,;4.11,-1.54,;5.45,-.77,;5.45,.77,;4.11,1.54,;2.78,.77,;6.78,1.54,;8.19,.92,;9.22,2.06,;8.45,3.39,;6.94,3.07,;.11,.77,;-1.22,1.54,)|
PDB

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n/an/a 17n/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))
BDBM50593561
PNG
(CHEMBL5200388)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,wD:13.14,(-7.88,3.85,;-6.55,3.08,;-5.21,3.85,;-3.89,3.08,;-3.89,1.54,;-5.21,.78,;-6.55,1.54,;-7.88,.77,;-9.22,1.54,;-7.88,-.77,;-6.55,-1.54,;-5.21,-.77,;-3.88,-1.54,;-3.88,-3.08,;-2.55,-3.85,;-5.21,-3.85,;-6.55,-3.08,;-2.55,.77,;-2.55,-.77,;-1.21,-1.53,;.11,-.77,;1.44,-1.54,;2.78,-.77,;4.11,-1.54,;5.45,-.77,;5.45,.77,;4.11,1.54,;2.78,.77,;6.78,1.54,;8.19,.92,;9.22,2.06,;8.45,3.39,;6.94,3.07,;.11,.77,;-1.22,1.54,)|
PDB

KEGG

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PC sid
UniChem
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n/an/a 17n/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))
BDBM50593560
PNG
(CHEMBL5206645)
Show SMILES CCN(CC)C1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:26.27,wD:29.31,(8,3.85,;6.66,3.08,;6.66,1.54,;8,.77,;9.33,1.54,;5.33,.77,;5.33,-.77,;4,-1.54,;2.66,-.77,;1.33,-1.54,;-0,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-0,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-8,3.85,;-6.66,1.54,;-5.33,.77,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;2.66,.77,;4,1.54,)|
PDB

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PC sid
UniChem
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n/an/a 17n/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))
BDBM50593562
PNG
(CHEMBL5199857)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1 |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,)|
PDB

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PC sid
UniChem
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n/an/a 19n/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))
BDBM50593563
PNG
(CHEMBL5204737)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.53,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,;-1.33,3.08,)|
PDB

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n/an/a 19n/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))
BDBM50593552
PNG
(CHEMBL5206178)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCC(O)CC1 |(5.33,.77,;5.33,-.77,;6.66,-1.54,;4,-1.54,;2.66,-.77,;1.34,-1.53,;-0,-.77,;-0,.77,;1.33,1.54,;2.66,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-4,3.08,;-5.33,3.85,;-4,1.54,;-2.66,.78,;-5.33,.77,;-6.66,1.54,;-5.33,-.77,;-4,-1.54,;-2.66,-.77,;-1.33,-1.54,;-1.33,-3.08,;0,-3.85,;-2.66,-3.85,;-4,-3.08,)|
PDB

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n/an/a 22n/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))
BDBM50593558
PNG
(CHEMBL5189432)
Show SMILES CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)NC[C@@](C)(O)C(F)(F)F)CC1 |r|
PDB

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n/an/a 33n/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))
BDBM50593558
PNG
(CHEMBL5189432)
Show SMILES CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)NC[C@@](C)(O)C(F)(F)F)CC1 |r|
PDB

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n/an/a 34n/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))
BDBM50593560
PNG
(CHEMBL5206645)
Show SMILES CCN(CC)C1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:26.27,wD:29.31,(8,3.85,;6.66,3.08,;6.66,1.54,;8,.77,;9.33,1.54,;5.33,.77,;5.33,-.77,;4,-1.54,;2.66,-.77,;1.33,-1.54,;-0,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-0,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-8,3.85,;-6.66,1.54,;-5.33,.77,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;2.66,.77,;4,1.54,)|
PDB

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n/an/a 41n/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))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB

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n/an/a 44n/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))
BDBM50593551
PNG
(CHEMBL5173187)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCC1O
PDB

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n/an/a 48n/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))
BDBM50593551
PNG
(CHEMBL5173187)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCC1O
PDB

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n/an/a 48n/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))
BDBM50593550
PNG
(CHEMBL5199757)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
PDB

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n/an/a 49n/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))
BDBM50593557
PNG
(CHEMBL5200140)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCNCC2)cc1)C(F)(F)F |r|
PDB

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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

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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))
BDBM50593545
PNG
(CHEMBL5182576)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1
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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))
BDBM50593562
PNG
(CHEMBL5199857)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1 |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,)|
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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))
BDBM50593561
PNG
(CHEMBL5200388)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,wD:13.14,(-7.88,3.85,;-6.55,3.08,;-5.21,3.85,;-3.89,3.08,;-3.89,1.54,;-5.21,.78,;-6.55,1.54,;-7.88,.77,;-9.22,1.54,;-7.88,-.77,;-6.55,-1.54,;-5.21,-.77,;-3.88,-1.54,;-3.88,-3.08,;-2.55,-3.85,;-5.21,-3.85,;-6.55,-3.08,;-2.55,.77,;-2.55,-.77,;-1.21,-1.53,;.11,-.77,;1.44,-1.54,;2.78,-.77,;4.11,-1.54,;5.45,-.77,;5.45,.77,;4.11,1.54,;2.78,.77,;6.78,1.54,;8.19,.92,;9.22,2.06,;8.45,3.39,;6.94,3.07,;.11,.77,;-1.22,1.54,)|
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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))
BDBM50593561
PNG
(CHEMBL5200388)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,wD:13.14,(-7.88,3.85,;-6.55,3.08,;-5.21,3.85,;-3.89,3.08,;-3.89,1.54,;-5.21,.78,;-6.55,1.54,;-7.88,.77,;-9.22,1.54,;-7.88,-.77,;-6.55,-1.54,;-5.21,-.77,;-3.88,-1.54,;-3.88,-3.08,;-2.55,-3.85,;-5.21,-3.85,;-6.55,-3.08,;-2.55,.77,;-2.55,-.77,;-1.21,-1.53,;.11,-.77,;1.44,-1.54,;2.78,-.77,;4.11,-1.54,;5.45,-.77,;5.45,.77,;4.11,1.54,;2.78,.77,;6.78,1.54,;8.19,.92,;9.22,2.06,;8.45,3.39,;6.94,3.07,;.11,.77,;-1.22,1.54,)|
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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))
BDBM50593546
PNG
(CHEMBL5189664)
Show SMILES CC(C)NC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
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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))
BDBM50593556
PNG
(CHEMBL5195256)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C(F)(F)F |r|
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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))
BDBM50593550
PNG
(CHEMBL5199757)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
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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))
BDBM50593563
PNG
(CHEMBL5204737)
Show SMILES Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.53,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,;-1.33,3.08,)|
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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))
BDBM50593555
PNG
(CHEMBL5169969)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCOCC2)cc1)C(F)(F)F |r|
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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))
BDBM50593547
PNG
(CHEMBL5169935)
Show SMILES CCNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
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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))
BDBM50593554
PNG
(CHEMBL5187534)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCCC2)cc1)C(F)(F)F |r|
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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))
BDBM50593553
PNG
(CHEMBL5178109)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
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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))
BDBM50593548
PNG
(CHEMBL5204716)
Show SMILES CC(O)CNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
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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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB
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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))
BDBM50593549
PNG
(CHEMBL5203120)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NCC(O)C(F)(F)F
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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))
BDBM50593552
PNG
(CHEMBL5206178)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCC(O)CC1 |(5.33,.77,;5.33,-.77,;6.66,-1.54,;4,-1.54,;2.66,-.77,;1.34,-1.53,;-0,-.77,;-0,.77,;1.33,1.54,;2.66,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-4,3.08,;-5.33,3.85,;-4,1.54,;-2.66,.78,;-5.33,.77,;-6.66,1.54,;-5.33,-.77,;-4,-1.54,;-2.66,-.77,;-1.33,-1.54,;-1.33,-3.08,;0,-3.85,;-2.66,-3.85,;-4,-3.08,)|
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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))
BDBM50593546
PNG
(CHEMBL5189664)
Show SMILES CC(C)NC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
PDB

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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))
BDBM50593553
PNG
(CHEMBL5178109)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
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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))
BDBM50593557
PNG
(CHEMBL5200140)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCNCC2)cc1)C(F)(F)F |r|
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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))
BDBM50593548
PNG
(CHEMBL5204716)
Show SMILES CC(O)CNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
PDB

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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))
BDBM50593547
PNG
(CHEMBL5169935)
Show SMILES CCNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
PDB

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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
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB

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n/an/a 280n/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,)|
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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))
BDBM50593554
PNG
(CHEMBL5187534)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCCC2)cc1)C(F)(F)F |r|
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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))
BDBM50593556
PNG
(CHEMBL5195256)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C(F)(F)F |r|
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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))
BDBM50593549
PNG
(CHEMBL5203120)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NCC(O)C(F)(F)F
PDB

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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))
BDBM50593555
PNG
(CHEMBL5169969)
Show SMILES C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCOCC2)cc1)C(F)(F)F |r|
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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
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50593565
PNG
(CHEMBL5193039)
Show SMILES Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/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