BDBM50291003 CHEMBL326462::{N'-tert-Butoxycarbonyl-N-[2-(4-guanidino-1-phenethylaminooxalyl-butylcarbamoyl)-cyclohexanecarbonyl]-hydrazino}-acetic acid methyl ester

SMILES: COC(=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=MFOXSMSRHDMOGP-ZLNRFVROSA-N

Data: 2 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 2 hits for monomerid = 50291003   

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
Coagulation factor VII (Homo sapiens (Human))	BDBM50291003 (CHEMBL326462 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...) Show SMILES COC(=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/C31H47N7O8/c1-31(2,3)46-30(44)37-38(19-24(39)45-4)28(43)22-14-9-8-13-21(22)26(41)36-23(15-10-17-35-29(32)33)25(40)27(42)34-18-16-20-11-6-5-7-12-20/h5-7,11-12,21-23H,8-10,13-19H2,1-4H3,(H,34,42)(H,36,41)(H,37,44)(H4,32,33,35)/t21-,22-,23+/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	1.80E+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))	BDBM50291003 (CHEMBL326462 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...) Show SMILES COC(=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/C31H47N7O8/c1-31(2,3)46-30(44)37-38(19-24(39)45-4)28(43)22-14-9-8-13-21(22)26(41)36-23(15-10-17-35-29(32)33)25(40)27(42)34-18-16-20-11-6-5-7-12-20/h5-7,11-12,21-23H,8-10,13-19H2,1-4H3,(H,34,42)(H,36,41)(H,37,44)(H4,32,33,35)/t21-,22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.31E+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% 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