BDBM50046368 CHEMBL320988::[2-[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-1-(3-trifluoromethyl-phenyl)-ethyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=KRCPVLWZQMKRME-XBMUEBEBSA-N

Data: 5 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 5 hits for monomerid = 50046368   

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
Plasminogen (Homo sapiens (Human))	BDBM50046368 (CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)				J Med Chem 36: 314-9 (1993) BindingDB Entry DOI: 10.7270/Q2930S8J
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50046368 (CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/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	130	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))	BDBM50046368 (CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	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
Trypsin-1 (Homo sapiens (Human))	BDBM50046368 (CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/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	19	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
Coagulation factor X (Homo sapiens (Human))	BDBM50046368 (CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/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	1.40E+3	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