BDBM50046358 CHEMBL110780::{2-[2-(1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-1-naphthalen-2-yl-2-oxo-ethyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1

InChI Key: InChIKey=YSHIHBNJUPKMRT-ATTQYFOMSA-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 = 50046358   

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))	BDBM50046358 (CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/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	1.20E+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
Trypsin-1 (Homo sapiens (Human))	BDBM50046358 (CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/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	9	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))	BDBM50046358 (CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/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	50	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
Plasminogen (Homo sapiens (Human))	BDBM50046358 (CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/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	55	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))	BDBM50046358 (CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	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