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Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'khandelwal' and Initial = 'a'   
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
Collagenase


(Homo sapiens (Human))
BDBM50024382
PNG
(CHEMBL189690)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)/t23-,32?/m1/s1
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0.0794n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024388
PNG
(CHEMBL190621)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)/t23-,33?/m1/s1
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0.100n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024390
PNG
(CHEMBL372702)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)/t23-,31?/m1/s1
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0.310n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024402
PNG
(CHEMBL190232)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)/t22-,32?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024401
PNG
(CHEMBL190712)
Show SMILES CCOP(=O)(N1CC2Nc3ccccc3C2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,17,19-20,22,26H,3,12-13H2,1-2H3,(H,23,25)/t17?,19?,20-,30?/m1/s1
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1.10n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024380
PNG
(CHEMBL193124)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)/t17-,26?/m1/s1
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2n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024400
PNG
(CHEMBL192719)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccn1)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C24H26N3O5P/c1-31-21-9-11-22(12-10-21)33(30,32-15-13-20-8-4-5-14-25-20)27-17-19-7-3-2-6-18(19)16-23(27)24(28)26-29/h2-12,14,23,29H,13,15-17H2,1H3,(H,26,28)/t23-,33?/m1/s1
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3.40n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024393
PNG
(CHEMBL426449)
Show SMILES CCOP(=O)(N1Cc2ccsc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N2O5PS/c1-3-24-25(22,14-6-4-13(23-2)5-7-14)19-11-12-8-9-26-16(12)10-15(19)17(20)18-21/h4-9,15,21H,3,10-11H2,1-2H3,(H,18,20)/t15-,25?/m1/s1
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3.80n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024383
PNG
(CHEMBL192121)
Show SMILES COc1ccc(cc1)P(=O)(OCC1CCCCC1)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C24H31N2O5P/c1-30-21-11-13-22(14-12-21)32(29,31-17-18-7-3-2-4-8-18)26-16-20-10-6-5-9-19(20)15-23(26)24(27)25-28/h5-6,9-14,18,23,28H,2-4,7-8,15-17H2,1H3,(H,25,27)/t23-,32?/m1/s1
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4.60n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.10n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition constant for human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024385
PNG
(CHEMBL365588)
Show SMILES CCOP(=O)(N1CCN(C[C@@H]1C(=O)NO)C(=O)OCc1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N3O7P/c1-3-32-33(29,19-11-9-18(30-2)10-12-19)25-14-13-24(15-20(25)21(26)23-28)22(27)31-16-17-7-5-4-6-8-17/h4-12,20,28H,3,13-16H2,1-2H3,(H,23,26)/t20-,33?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024389
PNG
(CHEMBL370032)
Show SMILES CCOCCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O6P/c1-3-28-12-13-29-30(26,19-10-8-18(27-2)9-11-19)23-15-17-7-5-4-6-16(17)14-20(23)21(24)22-25/h4-11,20,25H,3,12-15H2,1-2H3,(H,22,24)/t20-,30?/m1/s1
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6.40n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024381
PNG
(CHEMBL190713)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccc(cc1)-c1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C31H31N2O5P/c1-37-28-15-17-29(18-16-28)39(36,33-22-27-10-6-5-9-26(27)21-30(33)31(34)32-35)38-20-19-23-11-13-25(14-12-23)24-7-3-2-4-8-24/h2-18,30,35H,19-22H2,1H3,(H,32,34)/t30-,39?/m1/s1
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6.5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024397
PNG
(CHEMBL372470)
Show SMILES COc1ccc(cc1)P(=O)(OC1CCCCC1)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C23H29N2O5P/c1-29-19-11-13-21(14-12-19)31(28,30-20-9-3-2-4-10-20)25-16-18-8-6-5-7-17(18)15-22(25)23(26)24-27/h5-8,11-14,20,22,27H,2-4,9-10,15-16H2,1H3,(H,24,26)/t22-,31?/m1/s1
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6.60n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024394
PNG
(CHEMBL187733)
Show SMILES CCOP(=O)(N1Cc2cc(N)ccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H24N3O5P/c1-3-27-28(25,17-8-6-16(26-2)7-9-17)22-12-14-10-15(20)5-4-13(14)11-18(22)19(23)21-24/h4-10,18,24H,3,11-12,20H2,1-2H3,(H,21,23)/t18-,28?/m1/s1
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11n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024398
PNG
(CHEMBL193080)
Show SMILES CCOCCOc1ccc(cc1)P(=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31?/m1/s1
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14n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024384
PNG
(CHEMBL191318)
Show SMILES CCN(CC)CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C23H32N3O5P/c1-4-25(5-2)14-15-31-32(29,21-12-10-20(30-3)11-13-21)26-17-19-9-7-6-8-18(19)16-22(26)23(27)24-28/h6-13,22,28H,4-5,14-17H2,1-3H3,(H,24,27)/t22-,32?/m1/s1
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17n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024391
PNG
(CHEMBL364694)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccccc1F
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,17-10-6-5-9-15(17)19)21-12-14-8-4-3-7-13(14)11-16(21)18(22)20-23/h3-10,16,23H,2,11-12H2,1H3,(H,20,22)/t16-,26?/m1/s1
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32n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024395
PNG
(CHEMBL189945)
Show SMILES CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H25N2O4P/c1-2-26-27(25,13-12-16-8-4-3-5-9-16)22-15-18-11-7-6-10-17(18)14-19(22)20(23)21-24/h3-11,19,24H,2,12-15H2,1H3,(H,21,23)/t19-,27?/m1/s1
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38n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171864
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(C)cc1
Show InChI InChI=1S/C19H23N2O4P/c1-3-25-26(24,17-10-8-14(2)9-11-17)21-13-16-7-5-4-6-15(16)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,26?/m1/s1
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42n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition constant for human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171864
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(C)cc1
Show InChI InChI=1S/C19H23N2O4P/c1-3-25-26(24,17-10-8-14(2)9-11-17)21-13-16-7-5-4-6-15(16)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,26?/m1/s1
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42n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171862
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H21N2O4P/c1-2-24-25(23,16-10-4-3-5-11-16)20-13-15-9-7-6-8-14(15)12-17(20)18(21)19-22/h3-11,17,22H,2,12-13H2,1H3,(H,19,21)/t17-,25?/m1/s1
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43n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition constant for human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171862
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H21N2O4P/c1-2-24-25(23,16-10-4-3-5-11-16)20-13-15-9-7-6-8-14(15)12-17(20)18(21)19-22/h3-11,17,22H,2,12-13H2,1H3,(H,19,21)/t17-,25?/m1/s1
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43n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171863
PNG
((4-Fluoro-phenyl)-((R)-3-hydroxycarbamoyl-3,4-dihy...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12H2,1H3,(H,20,22)/t17-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171863
PNG
((4-Fluoro-phenyl)-((R)-3-hydroxycarbamoyl-3,4-dihy...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12H2,1H3,(H,20,22)/t17-,26?/m1/s1
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52n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition constant for human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024399
PNG
(CHEMBL364547)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1cccs1
Show InChI InChI=1S/C16H19N2O4PS/c1-2-22-23(21,15-8-5-9-24-15)18-11-13-7-4-3-6-12(13)10-14(18)16(19)17-20/h3-9,14,20H,2,10-11H2,1H3,(H,17,19)/t14-,23?/m1/s1
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59n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024379
PNG
(CHEMBL363351)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1cccc(F)c1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-5-8-15(19)11-16)21-12-14-7-4-3-6-13(14)10-17(21)18(22)20-23/h3-9,11,17,23H,2,10,12H2,1H3,(H,20,22)/t17-,26?/m1/s1
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80n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50206441
PNG
(2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...)
Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12
Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
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89n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024386
PNG
(CHEMBL189330)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)/t17-,26?/m1/s1
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95n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024387
PNG
(CHEMBL371362)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccncc1
Show InChI InChI=1S/C17H20N3O4P/c1-2-24-25(23,15-7-9-18-10-8-15)20-12-14-6-4-3-5-13(14)11-16(20)17(21)19-22/h3-10,16,22H,2,11-12H2,1H3,(H,19,21)/t16-,25?/m1/s1
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278n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50024392
PNG
(CHEMBL190683)
Show SMILES CCOP(=O)(N1CCC[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C14H21N2O5P/c1-3-21-22(19,12-8-6-11(20-2)7-9-12)16-10-4-5-13(16)14(17)15-18/h6-9,13,18H,3-5,10H2,1-2H3,(H,15,17)/t13-,22?/m1/s1
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316n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171861
PNG
(((S)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m0/s1
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349n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition constant for human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171861
PNG
(((S)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m0/s1
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349n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50270022
PNG
(O2C(CH2)4CO2 dianion | adipate | adipate dianion |...)
Show SMILES [O-]C(=O)CCCCC([O-])=O
Show InChI InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2
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410n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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1.10E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50143424
PNG
(2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...)
Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
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2.95E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50206441
PNG
(2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...)
Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12
Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
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4.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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4.70E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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PubMed
6.31E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50269998
PNG
((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...)
Show SMILES C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1
Show InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/p-1/t10-,15+/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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6.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50412193
PNG
(CHEMBL1162487)
Show SMILES CCCC[C@@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
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6.61E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50412192
PNG
(CHEMBL1162486)
Show SMILES CCCC[C@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
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6.61E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50270021
PNG
(glutarate | glutarate(2-) | pentanedioate)
Show SMILES [O-]C(=O)CCCC([O-])=O
Show InChI InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2
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6.70E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50240408
PNG
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
Show SMILES CCCCCCC([O-])=O
Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
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8.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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8.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM16433
PNG
(CHEMBL14184 | Caproic acid | Hexanoic acid | n-Cap...)
Show SMILES CCCCCC(O)=O
Show InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
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PubMed
9.12E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50270006
PNG
(2-(4-aminobenzamido)acetate | AMINOHIPPURATE)
Show SMILES Nc1ccc(cc1)C(=O)NCC([O-])=O
Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1
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PubMed
9.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
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