BDBM50290999 CHEMBL322034::{N'-tert-Butoxycarbonyl-N-[2-(4-guanidino-1-phenethylaminooxalyl-butylcarbamoyl)-cyclohexanecarbonyl]-hydrazino}-acetic acid ethyl ester

SMILES: CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=ZTECGOSTMUBKKB-SMIHKQSGSA-N

Data: 3 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 3 hits for monomerid = 50290999   

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
Prothrombin (Homo sapiens (Human))	BDBM50290999 (CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...) Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50290999 (CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...) Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50290999 (CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...) Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair