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5 similar compounds to monomer 50120225

Wt: 541.5
BDBM50120224
Wt: 437.4
BDBM50120226
Wt: 557.5
BDBM50120227
Wt: 555.6
BDBM50120229
Wt: 585.6
BDBM50120233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50120224,50120226,50120227,50120229,50120233   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (human))
BDBM50120226
PNG
(2-[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl)...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(N)=O
Show InChI InChI=1S/C18H27N7O6/c1-10(26)15(16(19)28)24-17(29)13(23-14(27)3-2-8-22-18(20)21)9-11-4-6-12(7-5-11)25(30)31/h4-7,10,13,15,26H,2-3,8-9H2,1H3,(H8,19,20,21,22,23,24,27,28,29)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50120227
PNG
(2-[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl)...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(CO)c1ccccc1
Show InChI InChI=1S/C26H35N7O7/c1-16(35)23(25(38)31-21(15-34)18-6-3-2-4-7-18)32-24(37)20(30-22(36)8-5-13-29-26(27)28)14-17-9-11-19(12-10-17)33(39)40/h2-4,6-7,9-12,16,20-21,23,34-35H,5,8,13-15H2,1H3,(H7,27,28,29,30,31,32,36,37,38)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50120224
PNG
((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-(4-nitro...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C26H35N7O6/c1-16(19-7-4-3-5-8-19)30-25(37)23(17(2)34)32-24(36)21(31-22(35)9-6-14-29-26(27)28)15-18-10-12-20(13-11-18)33(38)39/h3-5,7-8,10-13,16-17,21,23,34H,6,9,14-15H2,1-2H3,(H7,27,28,29,30,31,32,35,36,37)
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n/an/a 72n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50120229
PNG
((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-(4-nitro...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)Cc1ccccc1
Show InChI InChI=1S/C27H37N7O6/c1-17(15-19-7-4-3-5-8-19)31-26(38)24(18(2)35)33-25(37)22(32-23(36)9-6-14-30-27(28)29)16-20-10-12-21(13-11-20)34(39)40/h3-5,7-8,10-13,17-18,22,24,35H,6,9,14-16H2,1-2H3,(H7,28,29,30,31,32,33,36,37,38)
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50120229
PNG
((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-(4-nitro...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)Cc1ccccc1
Show InChI InChI=1S/C27H37N7O6/c1-17(15-19-7-4-3-5-8-19)31-26(38)24(18(2)35)33-25(37)22(32-23(36)9-6-14-30-27(28)29)16-20-10-12-21(13-11-20)34(39)40/h3-5,7-8,10-13,17-18,22,24,35H,6,9,14-16H2,1-2H3,(H7,28,29,30,31,32,33,36,37,38)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50120224
PNG
((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-(4-nitro...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C26H35N7O6/c1-16(19-7-4-3-5-8-19)30-25(37)23(17(2)34)32-24(36)21(31-22(35)9-6-14-29-26(27)28)15-18-10-12-20(13-11-18)33(38)39/h3-5,7-8,10-13,16-17,21,23,34H,6,9,14-15H2,1-2H3,(H7,27,28,29,30,31,32,35,36,37)
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n/an/a 310n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50120233
PNG
(CHEMBL321268 | {2-[2-(4-Guanidino-butyrylamino)-3-...)
Show SMILES COC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(C)O)c1ccccc1
Show InChI InChI=1S/C27H35N7O8/c1-16(35)22(25(38)33-23(26(39)42-2)18-7-4-3-5-8-18)32-24(37)20(31-21(36)9-6-14-30-27(28)29)15-17-10-12-19(13-11-17)34(40)41/h3-5,7-8,10-13,16,20,22-23,35H,6,9,14-15H2,1-2H3,(H7,28,29,30,31,32,33,36,37,38)
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PubMed
n/an/a 8.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)

More data for this
Ligand-Target Pair