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Compile Data Set for Download or QSAR

Found 3321 hits with Last Name = 'tele' and Initial = 'c'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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PubMed
0.0130 -61.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12659
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H17F4N5O4S/c1-39(36,37)21-5-3-2-4-15(21)13-6-8-18(17(26)10-13)31-24(35)19-12-22(25(27,28)29)32-34(19)14-7-9-20-16(11-14)23(30)33-38-20/h2-12H,1H3,(H2,30,33)(H,31,35)
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0.0900 -56.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12661
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccncc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H15F4N7O4S/c24-15-7-11(13-5-6-30-10-19(13)39(29,36)37)1-3-16(15)31-22(35)17-9-20(23(25,26)27)32-34(17)12-2-4-18-14(8-12)21(28)33-38-18/h1-10H,(H2,28,33)(H,31,35)(H2,29,36,37)
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0.100 -56.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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0.150 -55.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12660
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O4S/c25-16-9-12(14-3-1-2-4-20(14)39(30,36)37)5-7-17(16)31-23(35)18-11-21(24(26,27)28)32-34(18)13-6-8-19-15(10-13)22(29)33-38-19/h1-11H,(H2,29,33)(H,31,35)(H2,30,36,37)
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0.160 -55.3n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12675
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[...)
Show SMILES CNCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C23H18F4N8O2/c1-29-11-20-30-6-7-34(20)12-2-4-16(15(24)9-12)31-22(36)17-10-19(23(25,26)27)32-35(17)13-3-5-18-14(8-13)21(28)33-37-18/h2-10,29H,11H2,1H3,(H2,28,33)(H,31,36)
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0.170 -55.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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0.190 -54.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219966
PNG
(CHEMBL23959)
Show SMILES CC[C@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3/c1-3-17(12-5-6-12)25-18(4-2)24-19-15(9-10-23-20(19)25)14-8-7-13(21)11-16(14)22/h7-12,17H,3-6H2,1-2H3/t17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM18982
PNG
(1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)
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0.330 -53.6n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12677
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CN1CCCC1)C(F)(F)F
Show InChI InChI=1S/C26H22F4N8O2/c27-18-12-15(37-10-7-32-23(37)14-36-8-1-2-9-36)3-5-19(18)33-25(39)20-13-22(26(28,29)30)34-38(20)16-4-6-21-17(11-16)24(31)35-40-21/h3-7,10-13H,1-2,8-9,14H2,(H2,31,35)(H,33,39)
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0.370 -53.3n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219965
PNG
(CHEMBL430913)
Show SMILES CC[C@@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3/c1-3-17(12-5-6-12)25-18(4-2)24-19-15(9-10-23-20(19)25)14-8-7-13(21)11-16(14)22/h7-12,17H,3-6H2,1-2H3/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102594
PNG
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220479
PNG
(CHEMBL23342)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H21Cl2N3/c1-4-6-12(3)24-17(5-2)23-18-15(9-10-22-19(18)24)14-8-7-13(20)11-16(14)21/h7-12H,4-6H2,1-3H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50102594
PNG
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12662
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Cn1ccnc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H15F4N7O2/c1-32-7-6-28-20(32)11-2-4-15(14(23)8-11)29-21(34)16-10-18(22(24,25)26)30-33(16)12-3-5-17-13(9-12)19(27)31-35-17/h2-10H,1H3,(H2,27,31)(H,29,34)
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0.510 -52.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12666
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C23H15F3N8O2/c1-12-29-6-7-33(12)14-2-4-17(13(8-14)11-27)30-22(35)18-10-20(23(24,25)26)31-34(18)15-3-5-19-16(9-15)21(28)32-36-19/h2-10H,1H3,(H2,28,32)(H,30,35)
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0.520 -52.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219957
PNG
(CHEMBL3085294)
Show SMILES CCc1nc2c(ccnc2n1[C@H](C)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N3/c1-3-17-23-18-15(14-7-6-13(20)10-16(14)21)8-9-22-19(18)24(17)11(2)12-4-5-12/h6-12H,3-5H2,1-2H3/t11-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220478
PNG
(CHEMBL22622)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cc(C)c(OC)cc1C
Show InChI InChI=1S/C22H29N3O/c1-7-9-16(5)25-20(8-2)24-21-17(10-11-23-22(21)25)18-12-15(4)19(26-6)13-14(18)3/h10-13,16H,7-9H2,1-6H3
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12667
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16F3N7O2/c1-12-27-8-9-31(12)14-4-2-13(3-5-14)28-21(33)17-11-19(22(23,24)25)29-32(17)15-6-7-18-16(10-15)20(26)30-34-18/h2-11H,1H3,(H2,26,30)(H,28,33)
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0.600 -52.1n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12663
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H15F4N7O2/c1-11-28-6-7-32(11)12-2-4-16(15(23)9-12)29-21(34)17-10-19(22(24,25)26)30-33(17)13-3-5-18-14(8-13)20(27)31-35-18/h2-10H,1H3,(H2,27,31)(H,29,34)
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0.700 -51.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219962
PNG
(CHEMBL431105)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C21H24F3N3O/c1-5-7-13(3)27-18(6-2)26-19-16(10-11-25-20(19)27)15-9-8-14(28-4)12-17(15)21(22,23)24/h8-13H,5-7H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity against Corticotropin releasing factor receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219954
PNG
(CHEMBL283993)
Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(OC(F)F)cc1Cl
Show InChI InChI=1S/C21H22ClF2N3O/c1-3-18-26-19-16(15-8-7-14(11-17(15)22)28-21(23)24)9-10-25-20(19)27(18)12(2)13-5-4-6-13/h7-13,21H,3-6H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity against Corticotropin releasing factor receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219969
PNG
(CHEMBL23439)
Show SMILES CCC(CCOC)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12671
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES CCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C23H17F4N7O2/c1-2-20-29-7-8-33(20)12-3-5-16(15(24)10-12)30-22(35)17-11-19(23(25,26)27)31-34(17)13-4-6-18-14(9-13)21(28)32-36-18/h3-11H,2H2,1H3,(H2,28,32)(H,30,35)
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0.730 -51.6n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219962
PNG
(CHEMBL431105)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C21H24F3N3O/c1-5-7-13(3)27-18(6-2)26-19-16(10-11-25-20(19)27)15-9-8-14(28-4)12-17(15)21(22,23)24/h8-13H,5-7H2,1-4H3
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0.740n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220480
PNG
(CHEMBL22433)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C21H27N3O/c1-6-8-15(4)24-19(7-2)23-20-18(11-12-22-21(20)24)17-10-9-16(25-5)13-14(17)3/h9-13,15H,6-8H2,1-5H3
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50102594
PNG
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-7


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102594
PNG
(7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...)
Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12664
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N6O3/c24-15-9-12(22(35)32-7-1-2-8-32)3-5-16(15)29-21(34)17-11-19(23(25,26)27)30-33(17)13-4-6-18-14(10-13)20(28)31-36-18/h3-6,9-11H,1-2,7-8H2,(H2,28,31)(H,29,34)
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0.920 -51.1n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102630
PNG
(11-Isobutyl-3-methyl-2,10-dioxo-1-oxa-3,9-diaza-cy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C20H36N4O6/c1-13(2)12-15-14(18(26)23-29)8-7-11-30-20(28)24(4)10-6-5-9-16(19(27)21-3)22-17(15)25/h13-16,29H,5-12H2,1-4H3,(H,21,27)(H,22,25)(H,23,26)/t14-,15+,16-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102604
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C19H34N4O6/c1-12(2)11-14-13(17(25)23-28)7-6-10-29-19(27)21-9-5-4-8-15(18(26)20-3)22-16(14)24/h12-15,28H,4-11H2,1-3H3,(H,20,26)(H,21,27)(H,22,24)(H,23,25)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50076991
PNG
((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102600
PNG
(12-Isobutyl-4-methyl-3,11-dioxo-1-oxa-4,10-diaza-c...)
Show SMILES CNC(=O)[C@@H]1CCCCN(C)C(=O)CO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C18H32N4O6/c1-11(2)9-12-15(18(26)21-27)28-10-14(23)22(4)8-6-5-7-13(17(25)19-3)20-16(12)24/h11-13,15,27H,5-10H2,1-4H3,(H,19,25)(H,20,24)(H,21,26)/t12-,13+,15+/m1/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50064340
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...)
Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50076991
PNG
((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102631
PNG
(8-Isobutyl-9-oxo-6-oxa-1,10-diaza-tricyclo[11.6.1....)
Show SMILES CNC(=O)[C@@H]1Cc2cn(CCCCO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)c1ccccc21
Show InChI InChI=1S/C24H34N4O5/c1-15(2)12-18-21(24(31)27-32)33-11-7-6-10-28-14-16(17-8-4-5-9-20(17)28)13-19(23(30)25-3)26-22(18)29/h4-5,8-9,14-15,18-19,21,32H,6-7,10-13H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,21+/m1/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50076993
PNG
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)
Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102630
PNG
(11-Isobutyl-3-methyl-2,10-dioxo-1-oxa-3,9-diaza-cy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C20H36N4O6/c1-13(2)12-15-14(18(26)23-29)8-7-11-30-20(28)24(4)10-6-5-9-16(19(27)21-3)22-17(15)25/h13-16,29H,5-12H2,1-4H3,(H,21,27)(H,22,25)(H,23,26)/t14-,15+,16-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219961
PNG
(CHEMBL23483)
Show SMILES CCC(CC)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H21Cl2N3/c1-4-13(5-2)24-17(6-3)23-18-15(9-10-22-19(18)24)14-8-7-12(20)11-16(14)21/h7-11,13H,4-6H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219967
PNG
(CHEMBL423475)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(C)=O
Show InChI InChI=1S/C21H24ClN3O/c1-5-7-13(3)25-19(6-2)24-20-17(10-11-23-21(20)25)16-9-8-15(14(4)26)12-18(16)22/h8-13H,5-7H2,1-4H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12673
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CO)C(F)(F)F
Show InChI InChI=1S/C22H15F4N7O3/c23-14-8-11(32-6-5-28-19(32)10-34)1-3-15(14)29-21(35)16-9-18(22(24,25)26)30-33(16)12-2-4-17-13(7-12)20(27)31-36-17/h1-9,34H,10H2,(H2,27,31)(H,29,35)
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1 -50.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50220485
PNG
(CHEMBL23354)
Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3/c1-3-18-24-19-16(15-8-7-14(21)11-17(15)22)9-10-23-20(19)25(18)12(2)13-5-4-6-13/h7-13H,3-6H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102610
PNG
(10-Isobutyl-6,11-dioxo-6,7,9,10,11,12,13,14-octahy...)
Show SMILES CNC(=O)[C@@H]1CSc2ccccc2NC(=O)CO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C20H28N4O6S/c1-11(2)8-12-17(20(28)24-29)30-9-16(25)22-13-6-4-5-7-15(13)31-10-14(19(27)21-3)23-18(12)26/h4-7,11-12,14,17,29H,8-10H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)(H,24,28)/t12-,14+,17+/m1/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50219963
PNG
(CHEMBL276971)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H21ClF3N3/c1-4-6-12(3)27-17(5-2)26-18-15(9-10-25-19(18)27)14-8-7-13(11-16(14)21)20(22,23)24/h7-12H,4-6H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro binding affinity to the CRF receptor in rat cortical homogenates


Bioorg Med Chem Lett 13: 125-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00833-8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102604
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C19H34N4O6/c1-12(2)11-14-13(17(25)23-28)7-6-10-29-19(27)21-9-5-4-8-15(18(26)20-3)22-16(14)24/h12-15,28H,4-11H2,1-3H3,(H,20,26)(H,21,27)(H,22,24)(H,23,25)/t13-,14+,15-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
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