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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for entry = 11828   
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
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651725
PNG
(2-((6-fluorobenzo[d]- oxazol-2-yl)amino)-1- methyl...)
Show SMILES Cn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc12
PDB
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n/an/an/an/a 2.00E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651726
PNG
(2-((6-fluorobenzo[d]- oxazol-2-yl)amino)-N- (2-met...)
Show SMILES COCCNC(=O)c1ccc2n(C)c(Nc3nc4ccc(F)cc4o3)nc2c1
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n/an/an/an/a 660n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651727
PNG
(6-fluoro-1-methyl-2- ((6-(trifluoromethoxy)- benzo...)
Show SMILES Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3o2)nc2ccc(F)cc12
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n/an/an/an/a 3.20E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651728
PNG
(6-fluoro-N-(2-methoxy- ethyl)-1-methyl-2-((6- (tri...)
Show SMILES COCCNC(=O)c1cc2nc(Nc3nc4ccc(OC(F)(F)F)cc4o3)n(C)c2cc1F
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n/an/an/an/a 730n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651729
PNG
(2-(benzo[d]oxazol-2- ylamino)-6-fluoro-N- (2-(2-hy...)
Show SMILES Cn1c(Nc2nc3ccccc3o2)nc2cc(C(=O)NCCOCCO)c(F)cc12
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n/an/an/an/a 1.10E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651730
PNG
(2-((5-fluoro-1H-benzo- [d]imidazol-2-yl)amino)- 1-...)
Show SMILES Cn1c(Nc2nc3cc(F)ccc3[nH]2)nc2ccccc12
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n/an/an/an/a 2.90E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651731
PNG
(1-(2-(dimethylamino)- ethyl)-2-((6-(trifluoro- met...)
Show SMILES CN(C)CCn1c(Nc2nc3ccc(OC(F)(F)F)cc3o2)nc2ccccc12
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n/an/an/an/a 3.60E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651732
PNG
(1-(2-methoxyethyl)-2- ((5-(trifluoromethoxy)- 1H-b...)
Show SMILES COCCn1c(Nc2nc3ccc(OC(F)(F)F)cc3[nH]2)nc2ccccc12
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n/an/an/an/a 370n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651733
PNG
(N,1-bis(2-methoxy- ethyl)-2-((5-(trifluoro- methox...)
Show SMILES COCCNC(=O)c1ccc2n(CCOC)c(Nc3nc4cc(OC(F)(F)F)ccc4[nH]3)nc2c1
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651734
PNG
(1-(2-methoxyethyl)-2- ((6-(trifluoromethoxy)- benz...)
Show SMILES COCCn1c(Nc2nc3ccc(OC(F)(F)F)cc3o2)nc2ccccc12
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n/an/an/an/a 4.10E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651735
PNG
(N,1-bis(2-methoxy- ethyl)-2-((6-(trifluoro- methox...)
Show SMILES COCCNC(=O)c1ccc2n(CCOC)c(Nc3nc4ccc(OC(F)(F)F)cc4o3)nc2c1
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n/an/an/an/a 2.20E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651736
PNG
(1-(tetrahydro-2H-pyran- 4-yl)-2-((6-(trifluoro- me...)
Show SMILES FC(F)(F)Oc1ccc2nc(Nc3nc4ccccc4n3C3CCOCC3)oc2c1
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651737
PNG
(N-(2-methoxyethyl)-1- (tetrahydro-2H-pyran- 4-yl)-...)
Show SMILES COCCNC(=O)c1ccc2n(C3CCOCC3)c(Nc3nc4ccc(OC(F)(F)F)cc4o3)nc2c1
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n/an/an/an/a 1.90E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651738
PNG
(N-(2-methoxyethyl)-1- (tetrahydro-2H-pyran- 4-yl)-...)
Show SMILES COCCNC(=O)c1ccc2n(C3CCOCC3)c(Nc3nc4cc(OC(F)(F)F)ccc4[nH]3)nc2c1
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n/an/an/an/a 2.30E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651739
PNG
(2-((5-chloro-1H-benzo- [d]imidazol-2-yl)amino)- 1-...)
Show SMILES Cn1c(Nc2nc3cc(Cl)ccc3[nH]2)nc2ccccc12
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n/an/an/an/a 2.40E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651740
PNG
(2-((5-chloro-1H-benzo- [d]imidazol-2-yl)amino)- N-...)
Show SMILES COCCNC(=O)c1ccc2n(C)c(Nc3nc4cc(Cl)ccc4[nH]3)nc2c1
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n/an/an/an/a 1.80E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651741
PNG
(1-ethyl-2-((6-(trifluoro- methoxy)benzo[d]- oxazol...)
Show SMILES CCn1c(Nc2nc3ccc(OC(F)(F)F)cc3o2)nc2ccccc12
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n/an/an/an/a 5.40E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651742
PNG
(1-ethyl-N-(2-methoxy- ethyl)-2-((6-(trifluoro- met...)
Show SMILES CCn1c(Nc2nc3ccc(OC(F)(F)F)cc3[nH]2)nc2cc(ccc12)C(=O)NCCOC
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651743
PNG
(1-ethyl-N-(2-hydroxy- ethyl)-2-((6-(trifluoro- met...)
Show SMILES CCn1c(Nc2nc3ccc(OC(F)(F)F)cc3[nH]2)nc2cc(ccc12)C(=O)NCCO
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651744
PNG
(1-((tetrahydrofuran-3- yl)methyl)-2-((6- (trifiuor...)
Show SMILES FC(F)(F)Oc1ccc2nc(Nc3nc4ccccc4n3CC3CCOC3)oc2c1
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n/an/an/an/a 6.80E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651745
PNG
(N-(2-methoxyethyl)-1- ((tetrahydrofuran-3- yl)meth...)
Show SMILES COCCNC(=O)c1ccc2n(CC3CCOC3)c(Nc3nc4ccc(OC(F)(F)F)cc4[nH]3)nc2c1
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n/an/an/an/a 1.50E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651746
PNG
(N-(2-methoxyethyl)-1- (2-(methylsulfonyl)- ethyl)-...)
Show SMILES COCCNC(=O)c1ccc2n(CCS(C)(=O)=O)c(Nc3nc4ccc(OC(F)(F)F)cc4o3)nc2c1
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n/an/an/an/a 4.80E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651747
PNG
(2-((6-bromobenzo[d]- oxazol-2-yl)amino)-1- methyl-...)
Show SMILES Cn1c(Nc2nc3ccc(Br)cc3o2)nc2ccccc12
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n/an/an/an/a 2.50E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651748
PNG
(N-(2-hydroxyethyl)-2- ((6-methoxybenzo- [d]oxazol-...)
Show SMILES COc1ccc2nc(Nc3nc4cc(ccc4n3C)C(=O)NCCO)oc2c1
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n/an/an/an/a 1.40E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651749
PNG
(1-((3-hydroxyoxetan- 3-yl)methyl)-N-(2- methoxyeth...)
Show SMILES COCCNC(=O)c1ccc2n(CC3(O)COC3)c(Nc3nc4ccc(OC(F)(F)F)cc4o3)nc2c1
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n/an/an/an/a 1.30E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651750
PNG
(N-(2-hydroxyethyl)-1- ((3-hydroxyoxetan-3- yl)meth...)
Show SMILES OCCNC(=O)c1ccc2n(CC3(O)COC3)c(Nc3nc4ccc(OC(F)(F)F)cc4o3)nc2c1
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n/an/an/an/a 1.60E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651751
PNG
(2-((6-chlorobenzo[d]- oxazol-2-yl)amino)-1- methyl...)
Show SMILES Cn1c(Nc2nc3ccc(Cl)cc3o2)nc2ccccc12
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651752
PNG
(2-((6-chlorobenzo[d]- oxazol-2-yl)amino)-N- (2-hyd...)
Show SMILES Cn1c(Nc2nc3ccc(Cl)cc3o2)nc2cc(ccc12)C(=O)NCCO
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651753
PNG
(1-methyl-2-((6-(2,2,2- trifluoroethoxy)benzo- [d]o...)
Show SMILES Cn1c(Nc2nc3ccc(OCC(F)(F)F)cc3o2)nc2ccccc12
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n/an/an/an/a 4.10E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651754
PNG
(N-(2-methoxyethyl)-1- methyl-2-((6-(2,2,2- trifluo...)
Show SMILES COCCNC(=O)c1ccc2n(C)c(Nc3nc4ccc(OCC(F)(F)F)cc4o3)nc2c1
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651755
PNG
(N-(2-hydroxyethyl)-1- methyl-2-((6-(2,2,2- trifluo...)
Show SMILES Cn1c(Nc2nc3ccc(OCC(F)(F)F)cc3o2)nc2cc(ccc12)C(=O)NCCO
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651756
PNG
(2-((6-(2-hydroxyethoxy)- benzo[d]oxazol-2-yl)- ami...)
Show SMILES COCCNC(=O)c1ccc2n(C)c(Nc3nc4ccc(OCCO)cc4o3)nc2c1
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n/an/an/an/a 1.30E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651757
PNG
(2-((6-(2-hydroxyethoxy)- benzo[d]oxazol-2-yl)- ami...)
Show SMILES Cn1c(Nc2nc3ccc(OCCO)cc3o2)nc2cc(ccc12)C(=O)NCCO
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n/an/an/an/a 3.10E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651758
PNG
(2-((6-(2-hydroxyethoxy)- benzo[d]oxazol-2-yl)- ami...)
Show SMILES Cn1c(Nc2nc3ccc(OCCO)cc3o2)nc2cc(ccc12)C(=O)NCCOCCO
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n/an/an/an/a 3.70E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651759
PNG
(N-(2-aminoethyl)-2- ((6-(2-hydroxyethoxy)- benzo[d...)
Show SMILES Cn1c(Nc2nc3ccc(OCCO)cc3o2)nc2cc(ccc12)C(=O)NCCN
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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651760
PNG
(2-((5-fluoro-6-(trifluoro- methyl)benzo[d]oxazol- ...)
Show SMILES Cn1c(Nc2nc3cc(F)c(cc3o2)C(F)(F)F)nc2ccccc12
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n/an/an/an/a 4.50E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651761
PNG
(2-((5-fluoro-6-(trifluoro- methyl)benzo[d]oxazol- ...)
Show SMILES Cn1c(Nc2nc3cc(F)c(cc3o2)C(F)(F)F)nc2cc(ccc12)C(=O)NCCO
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n/an/an/an/a 1.50E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651762
PNG
(N-(2-methoxyethyl)-1- methyl-2-(oxazolo[5,4- b]pyr...)
Show SMILES COCCNC(=O)c1ccc2n(C)c(Nc3nc4cccnc4o3)nc2c1
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n/an/an/an/a 6.10E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651763
PNG
(N-(2-hydroxyethyl)-1- methyl-2-(oxazolo[5,4- b]pyr...)
Show SMILES Cn1c(Nc2nc3cccnc3o2)nc2cc(ccc12)C(=O)NCCO
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n/an/an/an/a 7.60E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651764
PNG
(2-((6-cyclopropyl- benzo[d]oxazol-2-yl)- amino)-1-...)
Show SMILES Cn1c(Nc2nc3ccc(cc3o2)C2CC2)nc2ccccc12
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n/an/an/an/a 6.20E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651765
PNG
(2-((6-cyclopropyl- benzo[d]oxazol-2-yl)- amino)-N-...)
Show SMILES COCCNC(=O)c1ccc2n(C)c(Nc3nc4ccc(cc4o3)C3CC3)nc2c1
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n/an/an/an/a 3.00E+3n/an/an/an/a


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Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651766
PNG
(N-(2-(2-hydroxyethoxy)- ethyl)-1-methyl-2-((7- (tr...)
Show SMILES Cn1c(Nc2nc3cccc(c3o2)C(F)(F)F)nc2cc(ccc12)C(=O)NCCOCCO
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n/an/an/an/a 1.80E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651767
PNG
(N-(2-(2-hydroxyethoxy)- ethyl)-2-((1-methyl-1H- be...)
Show SMILES Cn1c(Nc2nc3cc(ccc3o2)C(=O)NCCOCCO)nc2ccccc12
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n/an/an/an/a 8.00E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651768
PNG
(2-(benzo[d]oxazol-2-yl- amino)-N-(2-methoxy- ethox...)
Show SMILES COCCONC(=O)c1ccc2n(C)c(Nc3nc4ccccc4o3)nc2c1
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n/an/an/an/a 600n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651769
PNG
(2-(benzo[d]oxazol-2-yl- amino)-N-(2-hydroxy- propo...)
Show SMILES CC(O)CONC(=O)c1ccc2n(C)c(Nc3nc4ccccc4o3)nc2c1
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n/an/an/an/a 2.00E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651770
PNG
(2-(benzo[d]oxazol-2-yl- amino)-N-(2-(2-(dimeth- yl...)
Show SMILES CN(C)CC(=O)NCCONC(=O)c1ccc2n(C)c(Nc3nc4ccccc4o3)nc2c1
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n/an/an/an/a 1.40E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651771
PNG
(N-(2-(dimethylamino)- ethoxy)-1-methyl-2-((6- (tri...)
Show SMILES CN(C)CCONC(=O)c1ccc2n(C)c(Nc3nc4ccc(cc4o3)C(F)(F)F)nc2c1
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n/an/an/an/a 400n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651772
PNG
(N-(2-methoxyethoxy)-1- methyl-2-((6-(trifluoro- me...)
Show SMILES COCCONC(=O)c1ccc2n(C)c(Nc3nc4ccc(cc4o3)C(F)(F)F)nc2c1
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n/an/an/an/a 200n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651773
PNG
(N-(2-hydroxyethoxy)- 1-methyl-2-((6-(tri- fluorome...)
Show SMILES Cn1c(Nc2nc3ccc(cc3o2)C(F)(F)F)nc2cc(ccc12)C(=O)NOCCO
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n/an/an/an/a 300n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Homo sapiens (Human))
BDBM651774
PNG
(N-(2-hydroxyethoxy)-1- methyl-2-((6-(trifluoro- me...)
Show SMILES Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3o2)nc2cc(ccc12)C(=O)NOCCO
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n/an/an/an/a 500n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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