Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.5 BDBM50068500

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

Found 4 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 X (Homo sapiens (Human))	BDBM50068500 (CHEMBL344309 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1 Show InChI InChI=1S/C25H32N6O4/c1-2-33-23(32)22(35-20-8-3-16-9-11-30(24(26)27)14-18(16)13-20)17-4-6-19(7-5-17)34-21-10-12-31(15-21)25(28)29/h3-8,13,21-22H,2,9-12,14-15H2,1H3,(H3,26,27)(H3,28,29)/t21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human Coagulation factor X				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068500 (CHEMBL344309 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1 Show InChI InChI=1S/C25H32N6O4/c1-2-33-23(32)22(35-20-8-3-16-9-11-30(24(26)27)14-18(16)13-20)17-4-6-19(7-5-17)34-21-10-12-31(15-21)25(28)29/h3-8,13,21-22H,2,9-12,14-15H2,1H3,(H3,26,27)(H3,28,29)/t21-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human trypsin				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068500 (CHEMBL344309 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1 Show InChI InChI=1S/C25H32N6O4/c1-2-33-23(32)22(35-20-8-3-16-9-11-30(24(26)27)14-18(16)13-20)17-4-6-19(7-5-17)34-21-10-12-31(15-21)25(28)29/h3-8,13,21-22H,2,9-12,14-15H2,1H3,(H3,26,27)(H3,28,29)/t21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human thrombin				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50068500 (CHEMBL344309 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1 Show InChI InChI=1S/C25H32N6O4/c1-2-33-23(32)22(35-20-8-3-16-9-11-30(24(26)27)14-18(16)13-20)17-4-6-19(7-5-17)34-21-10-12-31(15-21)25(28)29/h3-8,13,21-22H,2,9-12,14-15H2,1H3,(H3,26,27)(H3,28,29)/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human plasmin				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
					More data for this Ligand-Target Pair