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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'santillana soto' and Initial = 'sl'   
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
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636781
PNG
(US20230382863, Compound I-1)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1OC
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636823
PNG
(US20230382863, Compound I-86)
Show SMILES Cc1c(Oc2cccc(N)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636783
PNG
(US20230382863, Compound I-3)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1C
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636784
PNG
(US20230382863, Compound I-4)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1F
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636785
PNG
(US20230382863, Compound I-5)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636786
PNG
(US20230382863, Compound I-6)
Show SMILES Cc1c(Oc2cccc(NS(N)(=O)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636787
PNG
(US20230382863, Compound I-7 | US20230382863, Compo...)
Show SMILES Cc1c(Oc2cccc(c2)N=[S@@](C)(N)=O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O |r|
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636788
PNG
(US20230382863, Compound I-8)
Show SMILES Cc1c(Oc2cccc(c2)N=[S@](C)(N)=O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O |r|
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636787
PNG
(US20230382863, Compound I-7 | US20230382863, Compo...)
Show SMILES Cc1c(Oc2cccc(c2)N=[S@@](C)(N)=O)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O |r|
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Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636790
PNG
(US20230382863, Compound I-62)
Show SMILES Cc1c(Nc2ccc3NS(=O)(=O)NCc3c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636791
PNG
(US20230382863, Compound I-10)
Show SMILES CNS(=O)(=O)Nc1cc(F)cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636792
PNG
(US20230382863, Compound I-11)
Show SMILES CN(C)S(=O)(=O)Cc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636793
PNG
(US20230382863, Compound I-12)
Show SMILES CNS(=O)(=O)n1ccc2c(Oc3c(C)c(=O)n(C)c(Nc4ccc(I)cc4F)c3C(=O)NC3CC3)cccc12
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636812
PNG
(US20230382863, Compound I-38)
Show SMILES CNS(=O)(=O)Nc1c(F)ccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636813
PNG
(US20230382863, Compound I-39)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC2CC2)c1Cl
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636814
PNG
(US20230382863, Compound I-42)
Show SMILES Cc1c(Oc2cccc(NS(=O)(=O)NC3CC3)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636815
PNG
(US20230382863, Compound I-43)
Show SMILES CCNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636816
PNG
(US20230382863, Compound I-45)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC(F)(F)F)c1Cl
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636817
PNG
(US20230382863, Compound I-46)
Show SMILES Cc1c(Oc2cccc(NS(=O)(=O)NCC(F)(F)F)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636818
PNG
(US20230382863, Compound I-55)
Show SMILES COCCNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636782
PNG
(US20230382863, Compound I-2)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636795
PNG
(US20230382863, Compound I-13)
Show SMILES Cc1c(Oc2ccc3CNS(=O)(=O)Nc3c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636796
PNG
(US20230382863, Compound I-14)
Show SMILES CNS(=O)(=O)Nc1cc(Cl)cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636797
PNG
(US20230382863, Compound I-15)
Show SMILES CNS(=O)(=O)Nc1cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)ccc1F
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636798
PNG
(US20230382863, Compound I-16)
Show SMILES Cc1c(Oc2cccc(CS(N)(=O)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636799
PNG
(US20230382863, Compound I-59)
Show SMILES Cc1c(Oc2ccc3NS(=O)(=O)NCc3c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636800
PNG
(US20230382863, Compound I-60)
Show SMILES CN1Cc2cc(Oc3c(C)c(=O)n(C)c(Nc4ccc(I)cc4F)c3C(=O)NC3CC3)ccc2NS1(=O)=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636801
PNG
(US20230382863, Compound I-17)
Show SMILES CNS(=O)(=O)Nc1ccc(F)c(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636802
PNG
(US20230382863, Compound I-18)
Show SMILES CNS(=O)(=O)Nc1cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)ccc1OC
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636803
PNG
(US20230382863, Compound I-19)
Show SMILES CNS(=O)(=O)Nc1cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)ccc1Cl
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636804
PNG
(US20230382863, Compound I-20)
Show SMILES CNS(=O)(=O)Cc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636805
PNG
(US20230382863, Compound I-21)
Show SMILES CNS(=O)(=O)Nc1cc(C)cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636806
PNG
(US20230382863, Compound I-22)
Show SMILES CNS(=O)(=O)Nc1cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)ccc1C
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636807
PNG
(US20230382863, Compound I-23)
Show SMILES CNS(=O)(=O)Nc1ccc(Cl)c(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636808
PNG
(US20230382863, Compound I-61)
Show SMILES CN1c2ccc(Oc3c(C)c(=O)n(C)c(Nc4ccc(I)cc4F)c3C(=O)NC3CC3)cc2CNS1(=O)=O
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636819
PNG
(US20230382863, Compound I-78)
Show SMILES CNS(=O)(=O)n1ccc2ccc(Oc3c(C)c(=O)n(C)c(Nc4ccc(I)cc4F)c3C(=O)NC3CC3)cc12
PDB

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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636820
PNG
(US20230382863, Compound I-79)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)N2CCC2)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636821
PNG
(US20230382863, Compound I-63)
Show SMILES CNS(=O)(=O)Nc1ccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c(Cl)c1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636822
PNG
(US20230382863, Compound I-64)
Show SMILES CNS(=O)(=O)Nc1ccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636809
PNG
(US20230382863, Compound I-24)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)N(C)C2CC2)c1C
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636811
PNG
(US20230382863, Compound I-26)
Show SMILES CNS(=O)(=O)Nc1ccc(OC)c(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM636810
PNG
(US20230382863, Compound I-25)
Show SMILES CNS(=O)(=O)Nc1cc(OC)cc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636781
PNG
(US20230382863, Compound I-1)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1OC
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.420n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636782
PNG
(US20230382863, Compound I-2)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 1n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636782
PNG
(US20230382863, Compound I-2)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.370n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636782
PNG
(US20230382863, Compound I-2)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.370n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636782
PNG
(US20230382863, Compound I-2)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NC2CC2)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.370n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636816
PNG
(US20230382863, Compound I-45)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC(F)(F)F)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 1n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636816
PNG
(US20230382863, Compound I-45)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC(F)(F)F)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.380n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM636816
PNG
(US20230382863, Compound I-45)
Show SMILES CNS(=O)(=O)Nc1cccc(Oc2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2C(=O)NCC(F)(F)F)c1Cl
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.380n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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