Found 561 hits with Last Name = 'ribadeneira' and Initial = 'md' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418481
(CHEMBL1783282)Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)| Show InChI InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25) | PDB
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| 0.309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418483
(CHEMBL1783284)Show SMILES COc1ccc(c(OC)n1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(-7.37,-43.23,;-6.03,-42.46,;-6.03,-40.92,;-4.69,-40.15,;-4.69,-38.61,;-6.02,-37.85,;-7.36,-38.61,;-8.69,-37.83,;-10.03,-38.6,;-7.36,-40.15,;-6.02,-36.31,;-7.35,-35.54,;-8.69,-36.31,;-7.35,-34,;-6.02,-33.23,;-4.69,-33.99,;-3.35,-33.2,;-3.36,-31.66,;-1.99,-33.98,;-2,-35.54,;-3.34,-36.31,;-4.68,-35.54,;-.65,-33.21,;-.65,-31.67,;.68,-33.98,;2.01,-33.21,;3.55,-33.2,;2.78,-31.87,)| Show InChI InChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26) | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418482
(CHEMBL1783283)Show SMILES CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1ccc(OC)cc1OC |(30.61,-19.8,;29.28,-20.57,;27.94,-19.8,;26.61,-20.57,;25.28,-19.8,;25.28,-18.26,;23.94,-20.57,;23.93,-22.13,;22.59,-22.9,;21.25,-22.14,;19.91,-22.9,;18.58,-22.13,;17.24,-22.9,;18.58,-20.59,;19.91,-19.82,;21.24,-20.58,;22.58,-19.79,;22.57,-18.25,;19.91,-24.44,;21.24,-25.2,;21.24,-26.74,;19.9,-27.51,;19.9,-29.05,;18.57,-29.82,;18.57,-26.74,;18.57,-25.2,;17.24,-24.42,;15.9,-25.19,)| Show InChI InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)13-7-8-14(21)16(18(13)24-25-19)12-6-5-11(27-2)10-15(12)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26) | PDB
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| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
MMDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418488
(CHEMBL1783285)Show SMILES COc1cc(c(OC)nn1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(23.34,-39.57,;22.01,-40.34,;20.67,-39.57,;20.67,-38.03,;19.34,-37.28,;18,-38.03,;16.67,-37.26,;15.34,-38.02,;18,-39.57,;19.33,-40.35,;19.34,-35.74,;18.01,-34.97,;16.67,-35.73,;18.01,-33.42,;19.34,-32.65,;20.67,-33.41,;22.01,-32.63,;22,-31.09,;23.38,-33.4,;23.37,-34.96,;22.02,-35.74,;20.68,-34.97,;24.71,-32.63,;24.71,-31.09,;26.04,-33.4,;27.38,-32.63,;28.91,-32.63,;28.14,-31.29,)| Show InChI InChI=1S/C18H17FN6O3/c1-27-12-7-10(18(28-2)25-22-12)13-11(19)6-5-9-14(20)16(24-23-15(9)13)17(26)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,23)(H,21,26) | PDB
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| 0.562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418486
(CHEMBL1783276)Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12 |(-3.15,-48.69,;-3.15,-47.15,;-4.49,-46.38,;-5.83,-47.16,;-7.16,-46.39,;-7.16,-44.85,;-8.49,-44.07,;-9.83,-44.83,;-5.82,-44.09,;-4.49,-44.85,;-5.82,-42.55,;-7.15,-41.78,;-8.49,-42.55,;-7.15,-40.23,;-5.82,-39.46,;-4.49,-40.23,;-3.15,-39.44,;-3.16,-37.9,;-1.79,-40.22,;-1.8,-41.78,;-.31,-42.27,;.61,-41.01,;2.15,-41.02,;3.23,-42.12,;4.32,-41.04,;3.24,-39.94,;-.3,-39.74,;.19,-38.28,;-3.14,-42.55,;-4.48,-41.78,)| Show InChI InChI=1S/C23H22FN3O3/c1-29-13-6-9-18(30-2)15(10-13)19-16(24)8-7-14-21(25)20-17(26-22(14)19)11-27(23(20)28)12-4-3-5-12/h6-12,26H,3-5,25H2,1-2H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418445
(CHEMBL1783245)Show InChI InChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418472
(CHEMBL1783271)Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1 |(23.64,-5.48,;23.63,-3.94,;22.3,-3.17,;20.96,-3.95,;19.63,-3.17,;19.63,-1.63,;18.3,-.86,;16.96,-1.62,;20.97,-.88,;22.29,-1.63,;20.97,.66,;19.63,1.43,;18.3,.67,;19.64,2.98,;20.97,3.75,;22.3,2.99,;23.64,3.77,;23.63,5.31,;24.99,3,;24.99,1.44,;23.65,.66,;22.31,1.43,;26.33,3.78,;26.32,5.32,;27.66,3.01,;28.99,3.78,;30.53,3.78,;29.75,5.12,)| Show InChI InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26) | PDB
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| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418473
(CHEMBL1783272)Show SMILES CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1cc(OC)ccc1OC |(5.04,-12.13,;3.71,-12.9,;2.38,-12.14,;1.05,-12.91,;-.29,-12.14,;-.29,-10.6,;-1.62,-12.92,;-1.62,-14.48,;-2.97,-15.26,;-4.31,-14.49,;-5.65,-15.26,;-6.98,-14.49,;-8.32,-15.26,;-6.98,-12.94,;-5.65,-12.17,;-4.32,-12.94,;-2.98,-12.15,;-2.99,-10.61,;-5.65,-16.8,;-4.32,-17.56,;-4.32,-19.09,;-2.98,-19.86,;-2.98,-21.4,;-5.66,-19.87,;-6.99,-19.09,;-6.99,-17.55,;-8.32,-16.78,;-9.65,-17.54,)| Show InChI InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-10-11(27-2)5-8-15(13)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26) | PDB
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| 1.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418450
(CHEMBL1783250)Show InChI InChI=1S/C19H20N4O/c1-3-11-21-19(24)18-16(20)15-10-6-9-14(17(15)22-23-18)13-8-5-4-7-12(13)2/h4-10H,3,11H2,1-2H3,(H2,20,22)(H,21,24) | PDB
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| 1.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418480
(CHEMBL1783280)Show InChI InChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24) | PDB
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| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418485
(CHEMBL1783287)Show SMILES COc1ncccc1-c1cccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12 Show InChI InChI=1S/C21H20N4O2/c1-27-20-14(9-4-10-23-20)13-7-3-8-15-18(22)17-16(24-19(13)15)11-25(21(17)26)12-5-2-6-12/h3-4,7-12,24H,2,5-6,22H2,1H3 | PDB
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PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418484
(CHEMBL1783286)Show SMILES COc1ncc(C)cc1-c1cccc2c(N)c(nnc12)C(=O)NC1CC1 Show InChI InChI=1S/C19H19N5O2/c1-10-8-14(19(26-2)21-9-10)12-4-3-5-13-15(20)17(24-23-16(12)13)18(25)22-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H2,20,23)(H,22,25) | PDB
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PubMed
| 2.88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418451
(CHEMBL1783251)Show InChI InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-9-8-12(2)11-13(14)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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| 3.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418474
(CHEMBL1783273)Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CCC1 |(23.69,-19.53,;23.69,-17.99,;22.35,-17.22,;21.01,-18,;19.68,-17.23,;19.68,-15.69,;18.35,-14.91,;17.02,-15.67,;21.02,-14.93,;22.35,-15.69,;21.02,-13.39,;19.69,-12.62,;18.35,-13.39,;19.69,-11.08,;21.02,-10.3,;22.35,-11.07,;23.69,-10.28,;23.68,-8.74,;25.05,-11.05,;25.05,-12.62,;23.7,-13.39,;22.36,-12.62,;26.38,-10.28,;26.38,-8.74,;27.72,-11.04,;29.05,-10.27,;30.53,-10.67,;30.92,-9.18,;29.44,-8.79,)| Show InChI InChI=1S/C21H21FN4O3/c1-28-12-6-9-16(29-2)14(10-12)17-15(22)8-7-13-18(23)20(26-25-19(13)17)21(27)24-11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H2,23,25)(H,24,27) | PDB
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| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418469
(CHEMBL1783269)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12 Show InChI InChI=1S/C23H23N3O3/c1-28-14-9-10-19(29-2)17(11-14)15-7-4-8-16-21(24)20-18(25-22(15)16)12-26(23(20)27)13-5-3-6-13/h4,7-13,25H,3,5-6,24H2,1-2H3 | PDB
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PubMed
| 4.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418447
(CHEMBL1783247)Show InChI InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418475
(CHEMBL1783274)Show SMILES CCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1cc(OC)ccc1OC |(3.42,-26.79,;2.08,-26.02,;.75,-26.79,;-.59,-26.03,;-.59,-24.49,;-1.92,-26.8,;-1.92,-28.37,;-3.26,-29.14,;-4.6,-28.37,;-5.94,-29.14,;-7.28,-28.37,;-8.61,-29.14,;-7.27,-26.83,;-5.95,-26.05,;-4.61,-26.82,;-3.27,-26.03,;-3.28,-24.49,;-5.95,-30.68,;-4.62,-31.44,;-4.61,-32.97,;-3.28,-33.74,;-3.28,-35.28,;-5.95,-33.75,;-7.29,-32.98,;-7.28,-31.44,;-8.61,-30.66,;-9.95,-31.42,)| Show InChI InChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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| 5.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418487
(CHEMBL1783281)Show InChI InChI=1S/C20H22N4O2/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(2)8-9-16(15)26-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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PubMed
| 6.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418446
(CHEMBL1783246)Show InChI InChI=1S/C18H18N4O/c1-2-11-20-18(23)17-15(19)14-10-6-9-13(16(14)21-22-17)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,19,21)(H,20,23) | PDB
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PubMed
| 6.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418449
(CHEMBL1783249)Show InChI InChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24) | PDB
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PubMed
| 7.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418479
(CHEMBL1783279)Show InChI InChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25) | PDB
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| 7.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418448
(CHEMBL1783248)Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(C)cccc1C |(2.64,-18.71,;1.31,-19.48,;1.31,-21.02,;-.02,-21.79,;-1.35,-21.03,;-1.36,-19.49,;-2.69,-21.8,;-2.68,-23.36,;-4.02,-24.13,;-5.37,-23.36,;-6.7,-24.13,;-8.04,-23.36,;-8.04,-21.82,;-6.71,-21.05,;-5.37,-21.81,;-4.04,-21.02,;-4.05,-19.48,;-6.71,-25.67,;-5.38,-26.43,;-4.05,-25.66,;-5.38,-27.97,;-6.71,-28.74,;-8.05,-27.97,;-8.04,-26.43,;-9.37,-25.65,)| Show InChI InChI=1S/C20H22N4O/c1-4-11-22-20(25)19-17(21)15-10-6-9-14(18(15)23-24-19)16-12(2)7-5-8-13(16)3/h5-10H,4,11H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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| 8.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418452
(CHEMBL1783252)Show InChI InChI=1S/C20H22N4O/c1-4-8-22-20(25)19-17(21)16-7-5-6-15(18(16)23-24-19)14-10-12(2)9-13(3)11-14/h5-7,9-11H,4,8H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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PubMed
| 8.91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104968
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418444
(CHEMBL1783244)Show InChI InChI=1S/C19H25N3O/c1-5-9-22-11-14-15(18(22)23)16(20)13-8-6-7-12(17(13)21-14)10-19(2,3)4/h6-8,11,21H,5,9-10,20H2,1-4H3 | PDB
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| Article
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418453
(CHEMBL1783253)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC1 Show InChI InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104967
(CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-1 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418466
(CHEMBL1783266)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CCCC4)c3=O)[nH]c12 Show InChI InChI=1S/C24H25N3O3/c1-29-15-10-11-20(30-2)18(12-15)16-8-5-9-17-22(25)21-19(26-23(16)17)13-27(24(21)28)14-6-3-4-7-14/h5,8-14,26H,3-4,6-7,25H2,1-2H3 | PDB
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| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418454
(CHEMBL1783254)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC(C)C1 |(-4.24,-5.71,;-4.24,-4.17,;-5.58,-3.4,;-6.92,-4.18,;-8.25,-3.41,;-8.25,-1.87,;-9.58,-1.09,;-9.57,.45,;-6.91,-1.11,;-5.58,-1.87,;-6.91,.43,;-8.24,1.2,;-8.24,2.75,;-6.91,3.52,;-5.58,2.75,;-4.24,3.54,;-4.25,5.08,;-2.89,2.76,;-2.88,1.2,;-4.23,.43,;-5.57,1.2,;-1.56,3.54,;-1.56,5.08,;-.22,2.77,;1.11,3.54,;2.6,3.14,;3,4.63,;4.33,5.4,;1.51,5.02,)| Show InChI InChI=1S/C22H24N4O3/c1-12-9-13(10-12)24-22(27)21-19(23)16-6-4-5-15(20(16)25-26-21)17-11-14(28-2)7-8-18(17)29-3/h4-8,11-13H,9-10H2,1-3H3,(H2,23,25)(H,24,27) | PDB
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| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418478
(CHEMBL1783278)Show SMILES CCn1cc2[nH]c3c(c(F)ccc3c(N)c2c1=O)-c1cc(OC)ccc1OC |(3.23,1.19,;2.47,2.53,;.93,2.54,;0,1.29,;-1.48,1.78,;-2.82,1,;-4.16,1.77,;-5.5,1.01,;-6.83,1.78,;-8.16,1.01,;-6.83,3.32,;-5.5,4.09,;-4.16,3.33,;-2.83,4.11,;-2.84,5.65,;-1.47,3.34,;.02,3.81,;.51,5.27,;-5.5,-.53,;-4.17,-1.29,;-4.17,-2.83,;-2.83,-3.59,;-2.83,-5.13,;-5.51,-3.6,;-6.84,-2.83,;-6.83,-1.29,;-8.16,-.51,;-9.5,-1.28,)| Show InChI InChI=1S/C21H20FN3O3/c1-4-25-10-15-18(21(25)26)19(23)12-6-7-14(22)17(20(12)24-15)13-9-11(27-2)5-8-16(13)28-3/h5-10,24H,4,23H2,1-3H3 | PDB
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| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418477
(CHEMBL1783277)Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c3c(cn(C4CC4)c3=O)[nH]c12 |(23.23,-49.55,;23.23,-48.01,;21.89,-47.25,;20.55,-48.02,;19.22,-47.25,;19.22,-45.71,;17.9,-44.93,;16.56,-45.7,;20.56,-44.95,;21.89,-45.71,;20.56,-43.41,;19.23,-42.64,;17.9,-43.41,;19.23,-41.1,;20.56,-40.33,;21.9,-41.09,;23.23,-40.3,;23.22,-38.77,;24.6,-41.08,;24.59,-42.64,;26.07,-43.13,;26.99,-41.88,;28.53,-41.89,;29.86,-42.66,;29.87,-41.12,;26.08,-40.61,;26.57,-39.15,;23.24,-43.41,;21.9,-42.65,)| Show InChI InChI=1S/C22H20FN3O3/c1-28-12-5-8-17(29-2)14(9-12)18-15(23)7-6-13-20(24)19-16(25-21(13)18)10-26(22(19)27)11-3-4-11/h5-11,25H,3-4,24H2,1-2H3 | PDB
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| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418465
(CHEMBL1783265)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC(C)C4)c3=O)[nH]c12 |(22.59,-18.14,;22.59,-16.6,;21.25,-15.83,;19.91,-16.61,;18.58,-15.83,;18.58,-14.29,;17.25,-13.52,;17.26,-11.98,;19.92,-13.54,;21.25,-14.29,;19.92,-12,;18.59,-11.23,;18.59,-9.68,;19.92,-8.91,;21.25,-9.67,;22.59,-8.89,;22.58,-7.35,;23.95,-9.66,;23.94,-11.22,;25.43,-11.71,;26.35,-10.44,;27.89,-10.45,;28.98,-11.54,;30.07,-10.45,;31.61,-10.45,;28.98,-9.36,;25.44,-9.18,;25.91,-7.71,;22.6,-12,;21.26,-11.23,)| Show InChI InChI=1S/C24H25N3O3/c1-13-9-14(10-13)27-12-19-21(24(27)28)22(25)17-6-4-5-16(23(17)26-19)18-11-15(29-2)7-8-20(18)30-3/h4-8,11-14,26H,9-10,25H2,1-3H3 | PDB
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| 14.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418455
(CHEMBL1783255)Show InChI InChI=1S/C21H24N4O3/c1-4-5-11-23-21(26)20-18(22)15-8-6-7-14(19(15)24-25-20)16-12-13(27-2)9-10-17(16)28-3/h6-10,12H,4-5,11H2,1-3H3,(H2,22,24)(H,23,26) | PDB
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| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418456
(CHEMBL1783256)Show InChI InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25) | PDB
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PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418457
(CHEMBL1783257)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CCC1 Show InChI InChI=1S/C21H22N4O3/c1-27-13-9-10-17(28-2)16(11-13)14-7-4-8-15-18(22)20(25-24-19(14)15)21(26)23-12-5-3-6-12/h4,7-12H,3,5-6H2,1-2H3,(H2,22,24)(H,23,26) | PDB
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| 26.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418458
(CHEMBL1783258)Show InChI InChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24) | PDB
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| 29.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418471
(CHEMBL1783270)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c3c(cn(C4CC4)c3=O)[nH]c12 Show InChI InChI=1S/C22H21N3O3/c1-27-13-8-9-18(28-2)16(10-13)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)12-6-7-12/h3-5,8-12,24H,6-7,23H2,1-2H3 | PDB
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| 33.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104962
(CHEMBL325048 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C17H24N2O4/c1-10(2)7-12(9-15(21)19-23)17(22)18-16-13-6-4-3-5-11(13)8-14(16)20/h3-6,10,12,14,16,20,23H,7-9H2,1-2H3,(H,18,22)(H,19,21)/t12-,14-,16+/m1/s1 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104968
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1 | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418459
(CHEMBL1783259)Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC(C)C Show InChI InChI=1S/C20H22N4O3/c1-11(2)22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-10-12(26-3)8-9-16(15)27-4/h5-11H,1-4H3,(H2,21,23)(H,22,25) | PDB
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| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418476
(CHEMBL1783275)Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC(C)C |(22.83,-34.64,;22.82,-33.1,;21.49,-32.33,;20.15,-33.11,;18.82,-32.33,;18.82,-30.79,;17.49,-30.02,;16.15,-30.78,;20.16,-30.04,;21.49,-30.79,;20.16,-28.5,;18.83,-27.72,;17.49,-28.49,;18.83,-26.18,;20.16,-25.41,;21.49,-26.17,;22.83,-25.39,;22.82,-23.85,;24.18,-26.16,;24.18,-27.72,;22.84,-28.5,;21.5,-27.73,;25.52,-25.38,;25.51,-23.84,;26.85,-26.15,;28.18,-25.37,;29.52,-26.14,;28.18,-23.83,)| Show InChI InChI=1S/C20H21FN4O3/c1-10(2)23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-9-11(27-3)5-8-15(13)28-4/h5-10H,1-4H3,(H2,22,24)(H,23,26) | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50418467
(CHEMBL1783267)Show SMILES CCn1cc2[nH]c3c(cccc3c(N)c2c1=O)-c1cc(OC)ccc1OC Show InChI InChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-11,23H,4,22H2,1-3H3 | PDB
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| Article
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| 60.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr |
Bioorg Med Chem 19: 2927-38 (2011)
Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50104966
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-8 |
J Med Chem 44: 3347-50 (2001)
BindingDB Entry DOI: 10.7270/Q2057F7H |
More data for this
Ligand-Target Pair | |
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