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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'crowder' and Initial = 'mw'   
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
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191983
PNG
(3-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...)
Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C21H23N3O6S/c22-18(26)17(8-12-4-2-1-3-5-12)24-20(28)16(6-7-31)23-19(27)13-9-14(21(29)30)11-15(25)10-13/h1-5,9-11,16-17,25,31H,6-8H2,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t16?,17-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191983
PNG
(3-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...)
Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C21H23N3O6S/c22-18(26)17(8-12-4-2-1-3-5-12)24-20(28)16(6-7-31)23-19(27)13-9-14(21(29)30)11-15(25)10-13/h1-5,9-11,16-17,25,31H,6-8H2,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t16?,17-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191986
PNG
((2R)-2-(2-(5-fluoro-1H-indole-2-carboxamido)-4-mer...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C22H22FN3O4S/c23-15-6-7-16-14(11-15)12-18(24-16)21(28)25-17(8-9-31)20(27)26-19(22(29)30)10-13-4-2-1-3-5-13/h1-7,11-12,17,19,24,31H,8-10H2,(H,25,28)(H,26,27)(H,29,30)/t17?,19-/m1/s1
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12n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191996
PNG
(6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...)
Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C20H22N4O5S/c21-17(25)16(11-12-5-2-1-3-6-12)24-19(27)14(9-10-30)23-18(26)13-7-4-8-15(22-13)20(28)29/h1-8,14,16,30H,9-11H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t14?,16-/m1/s1
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26n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191987
PNG
(6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapt...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C20H21N3O6S/c24-17(13-7-4-8-15(21-13)19(26)27)22-14(9-10-30)18(25)23-16(20(28)29)11-12-5-2-1-3-6-12/h1-8,14,16,30H,9-11H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t14?,16-/m1/s1
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120n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191987
PNG
(6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapt...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C20H21N3O6S/c24-17(13-7-4-8-15(21-13)19(26)27)22-14(9-10-30)18(25)23-16(20(28)29)11-12-5-2-1-3-6-12/h1-8,14,16,30H,9-11H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t14?,16-/m1/s1
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120n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191983
PNG
(3-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...)
Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C21H23N3O6S/c22-18(26)17(8-12-4-2-1-3-5-12)24-20(28)16(6-7-31)23-19(27)13-9-14(21(29)30)11-15(25)10-13/h1-5,9-11,16-17,25,31H,6-8H2,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t16?,17-/m1/s1
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130n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50192000
PNG
(3-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapt...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-15-10-13(9-14(11-15)20(27)28)18(25)22-16(6-7-31)19(26)23-17(21(29)30)8-12-4-2-1-3-5-12/h1-5,9-11,16-17,24,31H,6-8H2,(H,22,25)(H,23,26)(H,27,28)(H,29,30)/t16?,17-/m1/s1
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140n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191991
PNG
((2R)-2-(4-mercapto-2-(7-nitro-1H-indole-2-carboxam...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
Show InChI InChI=1S/C22H22N4O6S/c27-20(25-17(22(29)30)11-13-5-2-1-3-6-13)15(9-10-33)24-21(28)16-12-14-7-4-8-18(26(31)32)19(14)23-16/h1-8,12,15,17,23,33H,9-11H2,(H,24,28)(H,25,27)(H,29,30)/t15?,17-/m1/s1
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150n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191982
PNG
((2R)-2-(4-mercapto-2-(2-(2-nitrophenyl)furan-5-car...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1ccc(o1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C24H23N3O7S/c28-22(26-18(24(30)31)14-15-6-2-1-3-7-15)17(12-13-35)25-23(29)21-11-10-20(34-21)16-8-4-5-9-19(16)27(32)33/h1-11,17-18,35H,12-14H2,(H,25,29)(H,26,28)(H,30,31)/t17?,18-/m1/s1
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160n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50192002
PNG
((2R)-2-(2-(4-(benzyloxy)-3,5-dimethylbenzamido)-4-...)
Show SMILES Cc1cc(cc(C)c1OCc1ccccc1)C(=O)NC(CCS)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H32N2O5S/c1-19-15-23(16-20(2)26(19)36-18-22-11-7-4-8-12-22)27(32)30-24(13-14-37)28(33)31-25(29(34)35)17-21-9-5-3-6-10-21/h3-12,15-16,24-25,37H,13-14,17-18H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)/t24?,25-/m1/s1
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200n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191992
PNG
((2R)-2-(2-(5-chloro-1H-indole-2-carboxamido)-4-mer...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C22H22ClN3O4S/c23-15-6-7-16-14(11-15)12-18(24-16)21(28)25-17(8-9-31)20(27)26-19(22(29)30)10-13-4-2-1-3-5-13/h1-7,11-12,17,19,24,31H,8-10H2,(H,25,28)(H,26,27)(H,29,30)/t17?,19-/m1/s1
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200n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191998
PNG
((2R)-2-(2-(3-butylpicolinamido)-4-mercaptobutanami...)
Show SMILES CCCCc1ccc(nc1)C(=O)NC(CCS)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H29N3O4S/c1-2-3-7-17-10-11-18(24-15-17)21(27)25-19(12-13-31)22(28)26-20(23(29)30)14-16-8-5-4-6-9-16/h4-6,8-11,15,19-20,31H,2-3,7,12-14H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t19?,20-/m1/s1
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230n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50192003
PNG
((2R)-2-(2-(3-chloro-2-hydroxynicotinamido)-4-merca...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1c[nH]c(=O)c(Cl)c1
Show InChI InChI=1S/C19H20ClN3O5S/c20-13-9-12(10-21-17(13)25)16(24)22-14(6-7-29)18(26)23-15(19(27)28)8-11-4-2-1-3-5-11/h1-5,9-10,14-15,29H,6-8H2,(H,21,25)(H,22,24)(H,23,26)(H,27,28)/t14?,15-/m1/s1
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260n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191997
PNG
((2R)-2-(2-(1H-indole-2-carboxamido)-4-mercaptobuta...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C22H23N3O4S/c26-20(25-19(22(28)29)12-14-6-2-1-3-7-14)17(10-11-30)24-21(27)18-13-15-8-4-5-9-16(15)23-18/h1-9,13,17,19,23,30H,10-12H2,(H,24,27)(H,25,26)(H,28,29)/t17?,19-/m1/s1
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290n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191989
PNG
((2R)-2-(4-mercapto-2-(2-(naphthalen-1-yloxy)acetam...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)COc1cccc2ccccc12
Show InChI InChI=1S/C25H26N2O5S/c28-23(16-32-22-12-6-10-18-9-4-5-11-19(18)22)26-20(13-14-33)24(29)27-21(25(30)31)15-17-7-2-1-3-8-17/h1-12,20-21,33H,13-16H2,(H,26,28)(H,27,29)(H,30,31)/t20?,21-/m1/s1
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290n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191984
PNG
((2R)-2-(2-(2-(4-bromophenyl)acetamido)-4-mercaptob...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrN2O4S/c22-16-8-6-15(7-9-16)13-19(25)23-17(10-11-29)20(26)24-18(21(27)28)12-14-4-2-1-3-5-14/h1-9,17-18,29H,10-13H2,(H,23,25)(H,24,26)(H,27,28)/t17?,18-/m1/s1
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350n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50192001
PNG
((2R)-2-(2-(2-(4-acetamido-3-nitrophenyl)acetamido)...)
Show SMILES CC(=O)Nc1ccc(CC(=O)NC(CCS)C(=O)N[C@H](Cc2ccccc2)C(O)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O7S/c1-14(28)24-17-8-7-16(12-20(17)27(33)34)13-21(29)25-18(9-10-35)22(30)26-19(23(31)32)11-15-5-3-2-4-6-15/h2-8,12,18-19,35H,9-11,13H2,1H3,(H,24,28)(H,25,29)(H,26,30)(H,31,32)/t18?,19-/m1/s1
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390n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191985
PNG
((2R)-2-(4-mercapto-2-(3-(trimethylsilyl)propanamid...)
Show SMILES C[Si](C)(C)CCC(=O)NC(CCS)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H30N2O4SSi/c1-27(2,3)12-10-17(22)20-15(9-11-26)18(23)21-16(19(24)25)13-14-7-5-4-6-8-14/h4-8,15-16,26H,9-13H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t15?,16-/m1/s1
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520n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191988
PNG
((2R)-2-(2-(4-hydroxy-3,5-dimethylbenzamido)-4-merc...)
Show SMILES Cc1cc(cc(C)c1O)C(=O)NC(CCS)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26N2O5S/c1-13-10-16(11-14(2)19(13)25)20(26)23-17(8-9-30)21(27)24-18(22(28)29)12-15-6-4-3-5-7-15/h3-7,10-11,17-18,25,30H,8-9,12H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t17?,18-/m1/s1
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540n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191994
PNG
((2R)-2-(2-(5-hydroxy-1H-indole-2-carboxamido)-4-me...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C22H23N3O5S/c26-15-6-7-16-14(11-15)12-18(23-16)21(28)24-17(8-9-31)20(27)25-19(22(29)30)10-13-4-2-1-3-5-13/h1-7,11-12,17,19,23,26,31H,8-10H2,(H,24,28)(H,25,27)(H,29,30)/t17?,19-/m1/s1
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570n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191995
PNG
((2R)-2-(2-(2-(2-chloro-5-nitrophenyl)acetamido)-4-...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)Cc1cc(ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C21H22ClN3O6S/c22-16-7-6-15(25(30)31)11-14(16)12-19(26)23-17(8-9-32)20(27)24-18(21(28)29)10-13-4-2-1-3-5-13/h1-7,11,17-18,32H,8-10,12H2,(H,23,26)(H,24,27)(H,28,29)/t17?,18-/m1/s1
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780n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191993
PNG
((2R)-2-(2-(3-cyclohexylpropanamido)-4-mercaptobuta...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)CCC1CCCCC1
Show InChI InChI=1S/C22H32N2O4S/c25-20(12-11-16-7-3-1-4-8-16)23-18(13-14-29)21(26)24-19(22(27)28)15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-19,29H,1,3-4,7-8,11-15H2,(H,23,25)(H,24,26)(H,27,28)/t18?,19-/m1/s1
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780n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50192004
PNG
((2R)-2-(2-(3-butylpicolinamido)-3-mercaptopropanam...)
Show SMILES CCCCc1ccc(nc1)C(=O)NC(CS)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H27N3O4S/c1-2-3-7-16-10-11-17(23-13-16)20(26)25-19(14-30)21(27)24-18(22(28)29)12-15-8-5-4-6-9-15/h4-6,8-11,13,18-19,30H,2-3,7,12,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19?/m1/s1
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880n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Escherichia coli (strain K12))
BDBM50173997
PNG
((1-aminoethyl)(2-carboxy-1-propenyl)phosphinic aci...)
Show SMILES CC(CP(O)(=O)C(C)=N)C(O)=O
Show InChI InChI=1S/C6H12NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4,7H,3H2,1-2H3,(H,8,9)(H,10,11)
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1.00E+3n/an/an/an/an/an/an/an/a



Miami University

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (PepN) from Escherichia coli


Bioorg Med Chem Lett 15: 5150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.055
BindingDB Entry DOI: 10.7270/Q2SB45B8
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191990
PNG
((2R)-2-(4-mercapto-2-(2-(3-nitrophenyl)acetamido)b...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H23N3O6S/c25-19(13-15-7-4-8-16(11-15)24(29)30)22-17(9-10-31)20(26)23-18(21(27)28)12-14-5-2-1-3-6-14/h1-8,11,17-18,31H,9-10,12-13H2,(H,22,25)(H,23,26)(H,27,28)/t17?,18-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Escherichia coli (strain K12))
BDBM50173996
PNG
((1-aminoethyl)(2-carboxy-1-decyl)phosphinic acid |...)
Show SMILES CCCCCCCCC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C13H28NO4P/c1-3-4-5-6-7-8-9-12(13(15)16)10-19(17,18)11(2)14/h12,14,17-19H,3-10H2,1-2H3,(H,15,16)
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1.10E+3n/an/an/an/an/an/an/an/a



Miami University

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (PepN) from Escherichia coli


Bioorg Med Chem Lett 15: 5150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.055
BindingDB Entry DOI: 10.7270/Q2SB45B8
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191999
PNG
((2R)-2-(2-(2-(4-bromophenyl)acetamido)-3-mercaptop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CS)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrN2O4S/c21-15-8-6-14(7-9-15)11-18(24)22-17(12-28)19(25)23-16(20(26)27)10-13-4-2-1-3-5-13/h1-9,16-17,28H,10-12H2,(H,22,24)(H,23,25)(H,26,27)/t16-,17?/m1/s1
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3.67E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Escherichia coli (strain K12))
BDBM50022572
PNG
(3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-methyl-p...)
Show SMILES CC(CP(O)(O)C(C)=N)C(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-4(6(8)9)3-12(10,11)5(2)7/h4,7,10-12H,3H2,1-2H3,(H,8,9)
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1.00E+4n/an/an/an/an/an/an/an/a



Miami University

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (PepN) from Escherichia coli


Bioorg Med Chem Lett 15: 5150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.055
BindingDB Entry DOI: 10.7270/Q2SB45B8
More data for this
Ligand-Target Pair
Aminopeptidase N


(Escherichia coli (strain K12))
BDBM50173999
PNG
(1-aminoethyl-O-1-carboxyethyl sulfonate | CHEMBL36...)
Show SMILES CC(N)S(=O)(=O)OC(C)C(O)=O
Show InChI InChI=1S/C5H11NO5S/c1-3(5(7)8)11-12(9,10)4(2)6/h3-4H,6H2,1-2H3,(H,7,8)
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>3.00E+5n/an/an/an/an/an/an/an/a



Miami University

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (PepN) from Escherichia coli


Bioorg Med Chem Lett 15: 5150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.055
BindingDB Entry DOI: 10.7270/Q2SB45B8
More data for this
Ligand-Target Pair
Aminopeptidase N


(Escherichia coli (strain K12))
BDBM50173998
PNG
(1-aminoethyl-N-1-carboxyethyl sulfonamidate | CHEM...)
Show SMILES CC(N)S(=O)(=O)NC(C)C(O)=O
Show InChI InChI=1S/C5H12N2O4S/c1-3(5(8)9)7-12(10,11)4(2)6/h3-4,7H,6H2,1-2H3,(H,8,9)
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>3.00E+5n/an/an/an/an/an/an/an/a



Miami University

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (PepN) from Escherichia coli


Bioorg Med Chem Lett 15: 5150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.055
BindingDB Entry DOI: 10.7270/Q2SB45B8
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50240870
PNG
(CHEMBL4068259)
Show SMILES Nc1cccc(c1)-c1cc(nc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c14-9-3-1-2-7(4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19)
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n/an/a 210n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 60: 7267-7283 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00407
BindingDB Entry DOI: 10.7270/Q2P27185
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM50240870
PNG
(CHEMBL4068259)
Show SMILES Nc1cccc(c1)-c1cc(nc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c14-9-3-1-2-7(4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19)
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n/an/a 240n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens IMP1 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by subs...


J Med Chem 60: 7267-7283 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00407
BindingDB Entry DOI: 10.7270/Q2P27185
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM26116
PNG
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)
Show SMILES OC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa VIM2 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by s...


J Med Chem 60: 7267-7283 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00407
BindingDB Entry DOI: 10.7270/Q2P27185
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM26116
PNG
(CHEMBL284104 | Dipicolinate | pyridine carboxylate...)
Show SMILES OC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.


J Med Chem 60: 7267-7283 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00407
BindingDB Entry DOI: 10.7270/Q2P27185
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50609681
PNG
(CHEMBL5271623)
Show SMILES OC(=O)[C@H](CCCn1c(n[nH]c1=S)-c1ccc2ccccc2c1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
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n/an/a 9.10E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50609681
PNG
(CHEMBL5271623)
Show SMILES OC(=O)[C@H](CCCn1c(n[nH]c1=S)-c1ccc2ccccc2c1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
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n/an/a 1.60E+4n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50609678
PNG
(CHEMBL5287299)
Show SMILES OC(=O)[C@H](CCn1c(n[nH]c1=S)-c1ccccc1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
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n/an/a 1.70E+4n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50609677
PNG
(CHEMBL5272558)
Show SMILES OC(=O)[C@H](CCCn1c(n[nH]c1=S)-c1ccccc1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50609678
PNG
(CHEMBL5287299)
Show SMILES OC(=O)[C@H](CCn1c(n[nH]c1=S)-c1ccccc1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 2.70E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50609677
PNG
(CHEMBL5272558)
Show SMILES OC(=O)[C@H](CCCn1c(n[nH]c1=S)-c1ccccc1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
n/an/a 3.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50609680
PNG
(CHEMBL5278110)
Show SMILES Cc1[nH]cnc1CN(Cc1c[nH]cn1)[C@@H](CCCn1c(n[nH]c1=S)-c1ccccc1)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 3.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50609679
PNG
(CHEMBL5280464)
Show SMILES OC(=O)[C@H](CCCn1c(n[nH]c1=S)-c1ccccc1)N(Cc1ccccn1)Cc1ccccn1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PDB
UniChem
n/an/a 4.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hydroxyacylglutathione hydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50582857
PNG
(CHEMBL5091922)
Show SMILES S=c1[nH]nc(-c2ccccc2)n1CCSCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Glyoxalase-2 assessed as reduction of substrate level using S-D-lactoylglutathione as substrate by spectrophotometric...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113873
BindingDB Entry DOI: 10.7270/Q2B56PM2
More data for this
Ligand-Target Pair