BindingDB logo
myBDB logout

11 similar compounds to monomer 50046368

Compile data set for download or QSAR
Wt: 488.5
BDBM50029506		Wt: 474.5
BDBM50029510		Wt: 538.6
BDBM50046355		Wt: 538.6
BDBM50046358		Wt: 538.6
BDBM50046359
Wt: 556.5
BDBM50060011		Wt: 506.5
BDBM50060002		Wt: 538.6
BDBM50060003		Wt: 504.5
BDBM50060006		Wt: 538.6
BDBM50060007
Wt: 538.6
BDBM50060008

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50029506,50029510,50046355,50046358,50046359,50060011,50060002,50060003,50060006,50060007,50060008   
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


(Bos taurus)		BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060011
PNG
(CHEMBL419543 | [(R)-2-[(S)-2-((S)-1-Formyl-4-guani...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17-,18-,19+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))		BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))		BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060003
PNG
(CHEMBL105902 | {2-[(S)-2-((S)-1-Formyl-4-guanidino...)
Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19-,22-,23?/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50046355
PNG
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50046358
PNG
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))		BDBM50046358
PNG
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50046355
PNG
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))		BDBM50046359
PNG
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50046359
PNG
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50046359
PNG
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50046358
PNG
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50046358
PNG
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50046359
PNG
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against factor Xa

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))		BDBM50046355
PNG
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50046355
PNG
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against factor Xa

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50046358
PNG
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against factor Xa

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50046355
PNG
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)

J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060002
PNG
(CHEMBL102216 | {(R)-1-(4-Fluoro-phenyl)-2-[(S)-2-(...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H35FN6O5/c1-24(2,3)36-23(35)30-19(15-8-10-16(25)11-9-15)21(34)31-13-5-7-18(31)20(33)29-17(14-32)6-4-12-28-22(26)27/h8-11,14,17-19H,4-7,12-13H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t17-,18-,19+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060003
PNG
(CHEMBL105902 | {2-[(S)-2-((S)-1-Formyl-4-guanidino...)
Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19-,22-,23?/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50029506
PNG
(CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060006
PNG
(CHEMBL321322 | [(R)-2-[(S)-2-((S)-1-Formyl-4-guani...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccc(O)cc1
Show InChI InChI=1S/C24H36N6O6/c1-24(2,3)36-23(35)29-19(15-8-10-17(32)11-9-15)21(34)30-13-5-7-18(30)20(33)28-16(14-31)6-4-12-27-22(25)26/h8-11,14,16,18-19,32H,4-7,12-13H2,1-3H3,(H,28,33)(H,29,35)(H4,25,26,27)/t16-,18-,19+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060008
PNG
(CHEMBL320028 | {(R)-2-[(S)-2-((S)-1-Formyl-4-guani...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19-,22-,23+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50060007
PNG
(CHEMBL318518 | {(R)-2-[(S)-2-((S)-1-Formyl-4-guani...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21-,22-,23+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin

J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50029510
PNG
(1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin

J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair