BDBM50288454 CHEMBL317527::N-[3-((5S,20R,22aR)-5-Benzyl-4,7,18,19,22-pentaoxo-docosahydro-3a,6,17,21-tetraaza-cyclopentacyclohenicosen-20-yl)-propyl]-guanidine

SMILES: NC(=N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCNC(=O)C1=O

InChI Key: InChIKey=JIHDGYVUJHELTN-DSNGMDLFSA-N

Data: 2 KI

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 = 50288454   

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 (Bos taurus (bovine))	BDBM50288454 (CHEMBL317527 | N-[3-((5S,20R,22aR)-5-Benzyl-4,7,18...) Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCNC(=O)C1=O Show InChI InChI=1S/C31H47N7O5/c32-31(33)35-19-11-15-23-27(40)29(42)34-18-10-5-3-1-2-4-9-17-26(39)36-24(21-22-13-7-6-8-14-22)30(43)38-20-12-16-25(38)28(41)37-23/h6-8,13-14,23-25H,1-5,9-12,15-21H2,(H,34,42)(H,36,39)(H,37,41)(H4,32,33,35)/t23-,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine trypsin				Bioorg Med Chem Lett 6: 2947-2952 (1996) Article DOI: 10.1016/S0960-894X(96)00554-9 BindingDB Entry DOI: 10.7270/Q2FX79F5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50288454 (CHEMBL317527 | N-[3-((5S,20R,22aR)-5-Benzyl-4,7,18...) Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCNC(=O)C1=O Show InChI InChI=1S/C31H47N7O5/c32-31(33)35-19-11-15-23-27(40)29(42)34-18-10-5-3-1-2-4-9-17-26(39)36-24(21-22-13-7-6-8-14-22)30(43)38-20-12-16-25(38)28(41)37-23/h6-8,13-14,23-25H,1-5,9-12,15-21H2,(H,34,42)(H,36,39)(H,37,41)(H4,32,33,35)/t23-,24+,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 6: 2947-2952 (1996) Article DOI: 10.1016/S0960-894X(96)00554-9 BindingDB Entry DOI: 10.7270/Q2FX79F5
					More data for this Ligand-Target Pair