Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.5 BDBM50542739

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 11 hits in this display   

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))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human uPA using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human tPa using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human thrombin using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal human plasma F11a catalytic domain expressed in Escherichia coli strain BL21(DE3) using D-Leu-Pro-Arg*Rh110-D-Pro as substra...				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F7a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F9a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human F10a using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human complement FD by TR-FRET assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50542739 (CHEMBL4636760) Show SMILES COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r| Show InChI InChI=1S/C27H29NO6/c1-15(2)17-9-18(16-7-8-24-21(12-16)22(28)13-33-24)11-19(10-17)23(29)14-34-26-20(27(30)31)5-4-6-25(26)32-3/h4-12,15,22-23,29H,13-14,28H2,1-3H3,(H,30,31)/t22-,23?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human plasmin using fluorescent peptide as substrate by florescence assay				J Med Chem 63: 8088-8113 (2020) Article DOI: 10.1021/acs.jmedchem.0c00279 BindingDB Entry DOI: 10.7270/Q2KS6W36
					More data for this Ligand-Target Pair