BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 70 hits from Abbott GmbH& Co. KG   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM50114263
PNG
(((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1
Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182198
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-2-ylmethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1
Show InChI InChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50114263
PNG
(((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1
Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182201
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183865
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-furan-2-ylmethyl)-...)
Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1
Show InChI InChI=1S/C22H31N5O5/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183877
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-thiazol-2-ylmethyl...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1
Show InChI InChI=1S/C21H30N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182196
PNG
(((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2=[N+](NCC2)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H31N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17,26H,1-5,8-10,12-13H2,(H5-,23,24,27,28,30,31,32)/p+1/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182194
PNG
(CHEMBL206418 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C24H33N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h4,7-11,16,19-20,27H,1-3,5-6,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182194
PNG
(CHEMBL206418 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C24H33N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h4,7-11,16,19-20,27H,1-3,5-6,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183868
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-4-methyl-thiophen-...)
Show SMILES Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(O)=O)sc1C(N)=N
Show InChI InChI=1S/C23H33N5O4S/c1-14-10-16(33-20(14)21(24)25)12-27-22(31)18-8-5-9-28(18)23(32)17(26-13-19(29)30)11-15-6-3-2-4-7-15/h5,8,10,15,17-18,26H,2-4,6-7,9,11-13H2,1H3,(H3,24,25)(H,27,31)(H,29,30)/t17?,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182201
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183870
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-3-chloro-thiophen-...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1Cl
Show InChI InChI=1S/C22H30ClN5O4S/c23-19-14(20(24)25)12-33-17(19)10-27-21(31)16-7-4-8-28(16)22(32)15(26-11-18(29)30)9-13-5-2-1-3-6-13/h4,7,12-13,15-16,26H,1-3,5-6,8-11H2,(H3,24,25)(H,27,31)(H,29,30)/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183879
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-thiophen-2-ylmethy...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1
Show InChI InChI=1S/C22H31N5O4S/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182189
PNG
(CHEMBL207187 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C24H35N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h8-11,16,19-20,27H,1-7,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182210
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C23H34N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h8-9,12,15,18-19,27H,1-7,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182197
PNG
(((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCNN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183872
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-4-chloro-thiophen-...)
Show SMILES NC(=N)c1sc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1Cl
Show InChI InChI=1S/C22H30ClN5O4S/c23-15-10-14(33-19(15)20(24)25)11-27-21(31)17-7-4-8-28(17)22(32)16(26-12-18(29)30)9-13-5-2-1-3-6-13/h4,7,10,13,16-17,26H,1-3,5-6,8-9,11-12H2,(H3,24,25)(H,27,31)(H,29,30)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50129034
PNG
(((R)-2-{(S)-2-[(5-Carbamimidoyl-1H-pyrrol-2-ylmeth...)
Show SMILES Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)ccc1C(N)=N
Show InChI InChI=1S/C23H34N6O4/c1-28-16(9-10-18(28)21(24)25)13-27-22(32)19-8-5-11-29(19)23(33)17(26-14-20(30)31)12-15-6-3-2-4-7-15/h5,8-10,15,17,19,26H,2-4,6-7,11-14H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183880
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-3-ylmethy...)
Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cs1
Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-10-15(13-32-18)11-26-21(30)17-7-4-8-27(17)22(31)16(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,16-17,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183878
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-3-methyl-thiophen-...)
Show SMILES Cc1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)scc1C(N)=N
Show InChI InChI=1S/C23H33N5O4S/c1-14-16(21(24)25)13-33-19(14)11-27-22(31)18-8-5-9-28(18)23(32)17(26-12-20(29)30)10-15-6-3-2-4-7-15/h5,8,13,15,17-18,26H,2-4,6-7,9-12H2,1H3,(H3,24,25)(H,27,31)(H,29,30)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50129033
PNG
(((R)-2-{(S)-2-[(5-Carbamimidoyl-1-methyl-1H-pyrrol...)
Show SMILES Cn1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1C(N)=N
Show InChI InChI=1S/C23H34N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8,11,14-15,17-18,26H,2-4,6-7,9-10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182208
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C24H36N6O4/c25-22(26)18-10-9-17(13-27-18)14-29-23(33)20-8-4-5-11-30(20)24(34)19(28-15-21(31)32)12-16-6-2-1-3-7-16/h9-10,13,16,19-20,28H,1-8,11-12,14-15H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14.8n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182190
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2SCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H32N6O4S/c23-19(24)16-7-6-15(11-25-16)12-27-20(31)22-28(8-9-33-22)21(32)17(26-13-18(29)30)10-14-4-2-1-3-5-14/h6-7,11,14,17,22,26H,1-5,8-10,12-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182207
PNG
(CHEMBL208262 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-AL...)
Show SMILES C[C@H](N(C)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N
Show InChI InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 20.2n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183875
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-oxazol-2-ylmethyl)...)
Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1
Show InChI InChI=1S/C21H30N6O5/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182193
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC(=C)CN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C24H34N6O4/c1-15-9-20(23(33)29-12-17-7-8-18(22(25)26)27-11-17)30(14-15)24(34)19(28-13-21(31)32)10-16-5-3-2-4-6-16/h7-8,11,16,19-20,28H,1-6,9-10,12-14H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31.9n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183887
PNG
(((R)-2-{(S)-2-[(3-carbamimidoyl-isoxazol-5-ylmethy...)
Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)on1
Show InChI InChI=1S/C21H30N6O5/c22-19(23)15-10-14(32-26-15)11-25-20(30)17-7-4-8-27(17)21(31)16(24-12-18(28)29)9-13-5-2-1-3-6-13/h4,7,10,13,16-17,24H,1-3,5-6,8-9,11-12H2,(H3,22,23)(H,25,30)(H,28,29)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183888
PNG
(((R)-2-{(S)-2-[(2-carbamimidoyl-thiazol-4-ylmethyl...)
Show SMILES NC(=N)c1nc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cs1
Show InChI InChI=1S/C21H30N6O4S/c22-18(23)20-26-14(12-32-20)10-25-19(30)16-7-4-8-27(16)21(31)15(24-11-17(28)29)9-13-5-2-1-3-6-13/h4,7,12-13,15-16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182187
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES CC1(C)C[C@H](N(C1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N
Show InChI InChI=1S/C25H38N6O4/c1-25(2)11-20(23(34)30-13-17-8-9-18(22(26)27)28-12-17)31(15-25)24(35)19(29-14-21(32)33)10-16-6-4-3-5-7-16/h8-9,12,16,19-20,29H,3-7,10-11,13-15H2,1-2H3,(H3,26,27)(H,30,34)(H,32,33)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44.2n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182191
PNG
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C24H36N6O4/c25-21(26)18-9-8-17(13-27-18)14-29-23(34)24(10-4-5-11-24)30-22(33)19(28-15-20(31)32)12-16-6-2-1-3-7-16/h8-9,13,16,19,28H,1-7,10-12,14-15H2,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 47.3n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183866
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-furan-2-ylmethyl)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)o1
Show InChI InChI=1S/C22H31N5O5/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183869
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-thiazol-2-ylmethyl...)
Show SMILES NC(=N)c1cnc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1
Show InChI InChI=1S/C21H30N6O4S/c22-19(23)16-10-25-17(32-16)11-26-20(30)15-7-4-8-27(15)21(31)14(24-12-18(28)29)9-13-5-2-1-3-6-13/h4,7,10,13-15,24H,1-3,5-6,8-9,11-12H2,(H3,22,23)(H,26,30)(H,28,29)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183876
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-pyridin-2-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)nc1
Show InChI InChI=1S/C23H32N6O4/c24-21(25)16-8-9-17(26-12-16)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182204
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H]2N(CCC2=C)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C24H34N6O4/c1-15-9-10-30(21(15)23(33)29-13-17-7-8-18(22(25)26)27-12-17)24(34)19(28-14-20(31)32)11-16-5-3-2-4-6-16/h7-8,12,16,19,21,28H,1-6,9-11,13-14H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56.3n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183890
PNG
(((R)-2-{(S)-2-[(5-amino-4-carbamimidoyl-thiophen-2...)
Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)sc1N
Show InChI InChI=1S/C22H32N6O4S/c23-19(24)15-10-14(33-20(15)25)11-27-21(31)17-7-4-8-28(17)22(32)16(26-12-18(29)30)9-13-5-2-1-3-6-13/h4,7,10,13,16-17,26H,1-3,5-6,8-9,11-12,25H2,(H3,23,24)(H,27,31)(H,29,30)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182211
PNG
(((R)-2-{(R)-4-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H32N6O4S/c23-20(24)16-7-6-15(9-25-16)10-27-21(31)18-12-33-13-28(18)22(32)17(26-11-19(29)30)8-14-4-2-1-3-5-14/h6-7,9,14,17-18,26H,1-5,8,10-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58.4n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29388
PNG
(Exanta | Melagatran)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM29388
PNG
(Exanta | Melagatran)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 69.2n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50114263
PNG
(((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1
Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of tPA


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182206
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C24H34N6O4/c25-22(26)18-10-9-17(13-27-18)14-29-23(33)20-8-4-5-11-30(20)24(34)19(28-15-21(31)32)12-16-6-2-1-3-7-16/h4-5,9-10,13,16,19-20,28H,1-3,6-8,11-12,14-15H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71.2n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182188
PNG
(((R)-1-{(S)-1-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N
Show InChI InChI=1S/C21H32N6O4/c1-13(20(30)26-11-15-7-8-16(19(22)23)24-10-15)27-21(31)17(25-12-18(28)29)9-14-5-3-2-4-6-14/h7-8,10,13-14,17,25H,2-6,9,11-12H2,1H3,(H3,22,23)(H,26,30)(H,27,31)(H,28,29)/t13-,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 76.8n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182205
PNG
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(CCCCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C25H38N6O4/c26-22(27)19-10-9-18(14-28-19)15-30-24(35)25(11-5-2-6-12-25)31-23(34)20(29-16-21(32)33)13-17-7-3-1-4-8-17/h9-10,14,17,20,29H,1-8,11-13,15-16H2,(H3,26,27)(H,30,35)(H,31,34)(H,32,33)/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50183865
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-furan-2-ylmethyl)-...)
Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1
Show InChI InChI=1S/C22H31N5O5/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of tPA


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50183877
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-thiazol-2-ylmethyl...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1
Show InChI InChI=1S/C21H30N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 173n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of tPA


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50183877
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-thiazol-2-ylmethyl...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1
Show InChI InChI=1S/C21H30N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h4,7,12-14,16,24H,1-3,5-6,8-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 201n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50183886
PNG
(((R)-2-{(S)-2-[(5-carbamimidoyl-2-methyl-2H-[1,2,4...)
Show SMILES Cn1nc(nc1CNC(=O)[C@@H]1C=CCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(N)=N
Show InChI InChI=1S/C21H32N8O4/c1-28-16(26-19(27-28)18(22)23)11-25-20(32)15-8-5-9-29(15)21(33)14(24-12-17(30)31)10-13-6-3-2-4-7-13/h5,8,13-15,24H,2-4,6-7,9-12H2,1H3,(H3,22,23)(H,25,32)(H,30,31)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 232n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50183865
PNG
(((R)-2-{(S)-2-[(4-carbamimidoyl-furan-2-ylmethyl)-...)
Show SMILES NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1
Show InChI InChI=1S/C22H31N5O5/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h4,7,10,13-14,17-18,25H,1-3,5-6,8-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of F10a


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182200
PNG
(((R)-2-{(S)-4-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2COCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C22H32N6O5/c23-20(24)16-7-6-15(9-25-16)10-27-21(31)18-12-33-13-28(18)22(32)17(26-11-19(29)30)8-14-4-2-1-3-5-14/h6-7,9,14,17-18,26H,1-5,8,10-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50182203
PNG
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC(F)(F)CN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1
Show InChI InChI=1S/C23H32F2N6O4/c24-23(25)9-18(21(34)30-11-15-6-7-16(20(26)27)28-10-15)31(13-23)22(35)17(29-12-19(32)33)8-14-4-2-1-3-5-14/h6-7,10,14,17-18,29H,1-5,8-9,11-13H2,(H3,26,27)(H,30,34)(H,32,33)/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of thrombin by chromogenic assay


Bioorg Med Chem Lett 16: 2648-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50114263
PNG
(((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1
Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 328n/an/an/an/an/an/a



Abbott GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of F10a


Bioorg Med Chem Lett 16: 2641-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.040
BindingDB Entry DOI: 10.7270/Q2MC90T5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 70 total )  |  Next  |  Last  >>
Jump to: