Found 17 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50192107
(CHEMBL211921 | pyridine-3-carboxylic acid guanidin...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(cc1)-[#6](-[#8]-[#6](=O)-c1cccnc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C20H25BN4O4/c1-19(2)20(3,4)29-21(28-19)15-9-7-13(8-10-15)16(25-18(22)23)27-17(26)14-6-5-11-24-12-14/h5-12,16H,1-4H3,(H4,22,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50192102
(CHEMBL213434 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50192102
(CHEMBL213434 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50192106
(CHEMBL215750 | N-{2-[4-(4,4,5,5-tetramethyl-[1,3,2...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50192107
(CHEMBL211921 | pyridine-3-carboxylic acid guanidin...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(cc1)-[#6](-[#8]-[#6](=O)-c1cccnc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C20H25BN4O4/c1-19(2)20(3,4)29-21(28-19)15-9-7-13(8-10-15)16(25-18(22)23)27-17(26)14-6-5-11-24-12-14/h5-12,16H,1-4H3,(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50192105
(1-{[4-(dihydroxyboranyl)phenyl]methyl}guanidine; 2...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1ccc(cc1)-[#5](-[#8])-[#8] Show InChI InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50192103
(CHEMBL384180 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)9-18-12(16)17/h5-8H,9H2,1-4H3,(H4,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50192106
(CHEMBL215750 | N-{2-[4-(4,4,5,5-tetramethyl-[1,3,2...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50192107
(CHEMBL211921 | pyridine-3-carboxylic acid guanidin...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(cc1)-[#6](-[#8]-[#6](=O)-c1cccnc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C20H25BN4O4/c1-19(2)20(3,4)29-21(28-19)15-9-7-13(8-10-15)16(25-18(22)23)27-17(26)14-6-5-11-24-12-14/h5-12,16H,1-4H3,(H4,22,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f10a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50192108
(4-(aminomethyl)phenylboronic acid hydrochloride | ...)Show InChI InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f11a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50192102
(CHEMBL213434 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f10a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50192103
(CHEMBL384180 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)9-18-12(16)17/h5-8H,9H2,1-4H3,(H4,16,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50192105
(1-{[4-(dihydroxyboranyl)phenyl]methyl}guanidine; 2...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1ccc(cc1)-[#5](-[#8])-[#8] Show InChI InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50192106
(CHEMBL215750 | N-{2-[4-(4,4,5,5-tetramethyl-[1,3,2...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f10a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50192105
(1-{[4-(dihydroxyboranyl)phenyl]methyl}guanidine; 2...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1ccc(cc1)-[#5](-[#8])-[#8] Show InChI InChI=1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f10a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50192103
(CHEMBL384180 | N-[4-(4,4,5,5-tetramethyl-[1,3,2]di...)Show SMILES [#6]C1([#6])[#8]-[#5](-[#8]C1([#6])[#6])-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)9-18-12(16)17/h5-8H,9H2,1-4H3,(H4,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC
Curated by ChEMBL
| Assay Description
Inhibition of f10a |
Bioorg Med Chem Lett 16: 5022-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.043
BindingDB Entry DOI: 10.7270/Q2PV6M5D |
More data for this
Ligand-Target Pair | |
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