BDBM50046353 1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide::CHEMBL320098

SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1

InChI Key: InChIKey=JXRKSYPTADMDFW-AQYZNVCMSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50046353   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Trypsin-1 (Homo sapiens (Human))	BDBM50046353 (1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid...) Show SMILES C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H29N5O3/c1-14(15-7-3-2-4-8-15)19(28)25-12-6-10-17(25)18(27)24-16(13-26)9-5-11-23-20(21)22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3,(H,24,27)(H4,21,22,23)/t14-,16?,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				J Med Chem 36: 314-9 (1993) BindingDB Entry DOI: 10.7270/Q2930S8J
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50046353 (1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid...) Show SMILES C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H29N5O3/c1-14(15-7-3-2-4-8-15)19(28)25-12-6-10-17(25)18(27)24-16(13-26)9-5-11-23-20(21)22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3,(H,24,27)(H4,21,22,23)/t14-,16?,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against plasmin				J Med Chem 36: 314-9 (1993) BindingDB Entry DOI: 10.7270/Q2930S8J
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50046353 (1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid...) Show SMILES C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H29N5O3/c1-14(15-7-3-2-4-8-15)19(28)25-12-6-10-17(25)18(27)24-16(13-26)9-5-11-23-20(21)22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3,(H,24,27)(H4,21,22,23)/t14-,16?,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 36: 314-9 (1993) BindingDB Entry DOI: 10.7270/Q2930S8J
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50046353 (1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid...) Show SMILES C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H29N5O3/c1-14(15-7-3-2-4-8-15)19(28)25-12-6-10-17(25)18(27)24-16(13-26)9-5-11-23-20(21)22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3,(H,24,27)(H4,21,22,23)/t14-,16?,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against factor Xa				J Med Chem 36: 314-9 (1993) BindingDB Entry DOI: 10.7270/Q2930S8J
					More data for this Ligand-Target Pair