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9 similar compounds to monomer 50027144

Compile data set for download or QSAR
Wt: 422.4
BDBM50017474
Wt: 422.4
BDBM50027344
Wt: 422.4
BDBM50027141
Wt: 436.5
BDBM50027150
Wt: 513.5
BDBM50027154
Wt: 436.5
BDBM50146426
Wt: 436.5
BDBM50146427
Wt: 436.5
BDBM50146428
Wt: 436.5
BDBM50146430

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50017474,50027344,50027141,50027150,50027154,50146426,50146427,50146428,50146430   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin I converting enzyme


J Med Chem 32: 1378-92 (1989)


Article DOI: 10.1021/jm00126a039
BindingDB Entry DOI: 10.7270/Q20G3KQ1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of rabbit testis recombinant ACE C domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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4.52E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50146426
PNG
((S)-1-((1S,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20-,21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined


Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.


J Med Chem 30: 992-8 (1987)


Article DOI: 10.1021/jm00389a006
BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50146427
PNG
((S)-1-((1S,5R)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20+,21-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50146428
PNG
((S)-1-((1R,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20+,21+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50146430
PNG
((S)-1-((1R,5R)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50017474
PNG
((S,S)-1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-p...)
Show SMILES OC(=O)C1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of angiotensin I converting enzyme in silico


J Med Chem 40: 3161-72 (1997)


Article DOI: 10.1021/jm970211n
BindingDB Entry DOI: 10.7270/Q2MG7QPB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


Article DOI: 10.1021/jm00068a017
BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 28: 434-42 (1985)


Article DOI: 10.1021/jm00382a008
BindingDB Entry DOI: 10.7270/Q2RV0PVJ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of porcine plasma Angiotensin I converting enzyme by using fluorometric assay


J Med Chem 28: 1062-6 (1985)


Article DOI: 10.1021/jm00146a014
BindingDB Entry DOI: 10.7270/Q2H996C6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine plasma Angiotensin I converting enzyme


J Med Chem 28: 1067-71 (1985)


Article DOI: 10.1021/jm00146a015
BindingDB Entry DOI: 10.7270/Q2CJ8FPX
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027154
PNG
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)
Show SMILES O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(Cc1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H31N3O5/c34-27(25(19-23-11-7-17-31-20-23)32-29(36)24-12-5-2-6-13-24)15-16-28(35)33-18-8-14-26(33)30(37)38-21-22-9-3-1-4-10-22/h1-7,9-13,17,20,25-26H,8,14-16,18-19,21H2,(H,32,36)/t25?,26-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50146430
PNG
((S)-1-((1R,5R)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20-,21+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined


Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027150
PNG
(1-[5-(2-Methyl-benzoylamino)-4-oxo-6-phenyl-hexano...)
Show SMILES Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17-8-5-6-11-19(17)24(30)26-20(16-18-9-3-2-4-10-18)22(28)13-14-23(29)27-15-7-12-21(27)25(31)32/h2-6,8-11,20-21H,7,12-16H2,1H3,(H,26,30)(H,31,32)/t20?,21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50146428
PNG
((S)-1-((1R,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20+,21+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined


Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50146427
PNG
((S)-1-((1S,5R)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@@H](CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20+,21-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined


Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair