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18 similar compounds to monomer 12597

Compile data set for download or QSAR
Wt: 519.6
BDBM50062682
Wt: 519.6
BDBM50062714
Wt: 472.5
BDBM50085393
Wt: 429.5
BDBM50085406
Wt: 446.4
BDBM50114539
Purchase
Wt: 445.5
BDBM50114542
Wt: 430.4
BDBM50114544
Wt: 430.4
BDBM50114545
Wt: 486.6
BDBM50114526
Wt: 505.6
BDBM50114527
Wt: 472.5
BDBM50114528
Wt: 540.6
BDBM50114530
Wt: 486.6
BDBM50114531
Wt: 415.4
BDBM50114532
Wt: 473.5
BDBM50114533
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50062682,50062714,50085393,50085406,50114539,50114542,50114544,50114545,50114526,50114527,50114528,50114530,50114531,50114532,50114533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50114539
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114539
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114544
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-4-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)15-17-4-3-5-21(14-17)23(26)27)29-24(30)20-8-6-18(7-9-20)19-10-12-28-13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114531
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-dimethyl...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H34N4O3/c1-19(26(29(35)36-4)17-20-7-5-10-25(15-20)27(30)31)32-28(34)23-13-11-22(12-14-23)24-9-6-8-21(16-24)18-33(2)3/h5-16,19,26H,17-18H2,1-4H3,(H3,30,31)(H,32,34)/t19-,26-/m1/s1
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1n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114528
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)15-17-4-3-5-22(14-17)24(28)29)31-26(33)21-12-8-19(9-13-21)18-6-10-20(11-7-18)25(30)32/h3-14,16,23H,15H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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2n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114542
PNG
(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C26H28N4O3/c1-17(23(26(32)33-3)16-18-5-4-6-22(15-18)24(27)28)29-25(31)21-9-7-19(8-10-21)20-11-13-30(2)14-12-20/h4-15,17,23H,16H2,1-3H3,(H3-,27,28,29,31)/p+1/t17-,23-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114530
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C33H40N4O3/c1-40-33(39)29(19-23-9-5-12-28(17-23)31(35)36)30(20-22-7-3-2-4-8-22)37-32(38)26-15-13-25(14-16-26)27-11-6-10-24(18-27)21-34/h5-6,9-18,22,29-30H,2-4,7-8,19-21,34H2,1H3,(H3,35,36)(H,37,38)/t29-,30-/m1/s1
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4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


J Med Chem 56: 2016-28 (2013)


Article DOI: 10.1021/jm3016816
BindingDB Entry DOI: 10.7270/Q25140J6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114526
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@H](NC(=O)c1ccc(cc1)-c1cccc(CN)c1)C(C)C
Show InChI InChI=1S/C29H34N4O3/c1-18(2)26(25(29(35)36-3)16-19-6-4-9-24(14-19)27(31)32)33-28(34)22-12-10-21(11-13-22)23-8-5-7-20(15-23)17-30/h4-15,18,25-26H,16-17,30H2,1-3H3,(H3,31,32)(H,33,34)/t25-,26-/m1/s1
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8n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114545
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-3-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)14-17-5-3-6-20(13-17)23(26)27)29-24(30)19-10-8-18(9-11-19)21-7-4-12-28-15-21/h3-13,15-16,22H,14H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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8n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114527
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H31N3O3/c1-38-32(37)28(20-23-11-8-14-27(19-23)30(33)34)29(21-22-9-4-2-5-10-22)35-31(36)26-17-15-25(16-18-26)24-12-6-3-7-13-24/h2-19,28-29H,20-21H2,1H3,(H3,33,34)(H,35,36)/t28-,29-/m1/s1
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11n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114532
PNG
((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...)
Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


J Med Chem 56: 2016-28 (2013)


Article DOI: 10.1021/jm3016816
BindingDB Entry DOI: 10.7270/Q25140J6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114532
PNG
((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...)
Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1
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20n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50062714
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1
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21n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114530
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C33H40N4O3/c1-40-33(39)29(19-23-9-5-12-28(17-23)31(35)36)30(20-22-7-3-2-4-8-22)37-32(38)26-15-13-25(14-16-26)27-11-6-10-24(18-27)21-34/h5-6,9-18,22,29-30H,2-4,7-8,19-21,34H2,1H3,(H3,35,36)(H,37,38)/t29-,30-/m1/s1
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36n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114528
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)15-17-4-3-5-22(14-17)24(28)29)31-26(33)21-12-8-19(9-13-21)18-6-10-20(11-7-18)25(30)32/h3-14,16,23H,15H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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42n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50062714
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1
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67n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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69n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114533
PNG
(4'-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxyca...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H27N3O5/c1-16(23(27(34)35-2)15-17-4-3-5-22(14-17)24(28)29)30-25(31)20-10-6-18(7-11-20)19-8-12-21(13-9-19)26(32)33/h3-14,16,23H,15H2,1-2H3,(H3,28,29)(H,30,31)(H,32,33)/t16-,23-/m1/s1
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69n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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69n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory potency against Trypsin


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114527
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H31N3O3/c1-38-32(37)28(20-23-11-8-14-27(19-23)30(33)34)29(21-22-9-4-2-5-10-22)35-31(36)26-17-15-25(16-18-26)24-12-6-3-7-13-24/h2-19,28-29H,20-21H2,1H3,(H3,33,34)(H,35,36)/t28-,29-/m1/s1
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75n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114544
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-4-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)15-17-4-3-5-21(14-17)23(26)27)29-24(30)20-8-6-18(7-9-20)19-10-12-28-13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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76n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory potency against Trypsin


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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90n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114531
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-dimethyl...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H34N4O3/c1-19(26(29(35)36-4)17-20-7-5-10-25(15-20)27(30)31)32-28(34)23-13-11-22(12-14-23)24-9-6-8-21(16-24)18-33(2)3/h5-16,19,26H,17-18H2,1-4H3,(H3,30,31)(H,32,34)/t19-,26-/m1/s1
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95n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Plasmin


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114542
PNG
(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C26H28N4O3/c1-17(23(26(32)33-3)16-18-5-4-6-22(15-18)24(27)28)29-25(31)21-9-7-19(8-10-21)20-11-13-30(2)14-12-20/h4-15,17,23H,16H2,1-3H3,(H3-,27,28,29,31)/p+1/t17-,23-/m1/s1
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168n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory potency against Trypsin


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114532
PNG
((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...)
Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1
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230n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114526
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@H](NC(=O)c1ccc(cc1)-c1cccc(CN)c1)C(C)C
Show InChI InChI=1S/C29H34N4O3/c1-18(2)26(25(29(35)36-3)16-19-6-4-9-24(14-19)27(31)32)33-28(34)22-12-10-21(11-13-22)23-8-5-7-20(15-23)17-30/h4-15,18,25-26H,16-17,30H2,1-3H3,(H3,31,32)(H,33,34)/t25-,26-/m1/s1
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300n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114539
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
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301n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory potency against Trypsin


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114545
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-3-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)14-17-5-3-6-20(13-17)23(26)27)29-24(30)19-10-8-18(9-11-19)21-7-4-12-28-15-21/h3-13,15-16,22H,14H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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368n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory potency against Trypsin


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114530
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C33H40N4O3/c1-40-33(39)29(19-23-9-5-12-28(17-23)31(35)36)30(20-22-7-3-2-4-8-22)37-32(38)26-15-13-25(14-16-26)27-11-6-10-24(18-27)21-34/h5-6,9-18,22,29-30H,2-4,7-8,19-21,34H2,1H3,(H3,35,36)(H,37,38)/t29-,30-/m1/s1
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650n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114527
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H31N3O3/c1-38-32(37)28(20-23-11-8-14-27(19-23)30(33)34)29(21-22-9-4-2-5-10-22)35-31(36)26-17-15-25(16-18-26)24-12-6-3-7-13-24/h2-19,28-29H,20-21H2,1H3,(H3,33,34)(H,35,36)/t28-,29-/m1/s1
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709n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062714
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H33N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-14,16-19,21,29-30H,15,20,22H2,1H3,(H3,34,35)(H,36,37)/t29-,30-/m1/s1
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810n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114531
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-dimethyl...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H34N4O3/c1-19(26(29(35)36-4)17-20-7-5-10-25(15-20)27(30)31)32-28(34)23-13-11-22(12-14-23)24-9-6-8-21(16-24)18-33(2)3/h5-16,19,26H,17-18H2,1-4H3,(H3,30,31)(H,32,34)/t19-,26-/m1/s1
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2.66E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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3.25E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor IIa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114526
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@H](NC(=O)c1ccc(cc1)-c1cccc(CN)c1)C(C)C
Show InChI InChI=1S/C29H34N4O3/c1-18(2)26(25(29(35)36-3)16-19-6-4-9-24(14-19)27(31)32)33-28(34)22-12-10-21(11-13-22)23-8-5-7-20(15-23)17-30/h4-15,18,25-26H,16-17,30H2,1-3H3,(H3,31,32)(H,33,34)/t25-,26-/m1/s1
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>3.95E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114532
PNG
((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...)
Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1
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>3.95E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114539
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor IIa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114533
PNG
(4'-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxyca...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H27N3O5/c1-16(23(27(34)35-2)15-17-4-3-5-22(14-17)24(28)29)30-25(31)20-10-6-18(7-11-20)19-8-12-21(13-9-19)26(32)33/h3-14,16,23H,15H2,1-2H3,(H3,28,29)(H,30,31)(H,32,33)/t16-,23-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114545
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-3-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)14-17-5-3-6-20(13-17)23(26)27)29-24(30)19-10-8-18(9-11-19)21-7-4-12-28-15-21/h3-13,15-16,22H,14H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor IIa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114528
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)15-17-4-3-5-22(14-17)24(28)29)31-26(33)21-12-8-19(9-13-21)18-6-10-20(11-7-18)25(30)32/h3-14,16,23H,15H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114542
PNG
(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C26H28N4O3/c1-17(23(26(32)33-3)16-18-5-4-6-22(15-18)24(27)28)29-25(31)21-9-7-19(8-10-21)20-11-13-30(2)14-12-20/h4-15,17,23H,16H2,1-3H3,(H3-,27,28,29,31)/p+1/t17-,23-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor IIa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor IIa


Bioorg Med Chem Lett 12: 1667-70 (2002)


Article DOI: 10.1016/s0960-894x(02)00212-3
BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114544
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-4-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)15-17-4-3-5-21(14-17)23(26)27)29-24(30)20-8-6-18(7-9-20)19-10-12-28-13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor IIa


Bioorg Med Chem Lett 12: 1671-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00213-5
BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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>8.70E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 10: 217-21 (2000)


Article DOI: 10.1016/s0960-894x(99)00673-3
BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
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