BDBM50131465 (S)-21-Benzyl-8,26-dichloro-12,17-dioxa-1,4,19,22,24-pentaaza-tricyclo[21.3.1.0*6,11*]heptacosa-6(11),7,9,23,25-pentaene-3,18,27-trione::CHEMBL94413

SMILES: Clc1ccc2OCCCCOC(=O)NC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O

InChI Key: InChIKey=OKJSQHIVLJMGND-NRFANRHFSA-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 = 50131465   

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))	BDBM50131465 ((S)-21-Benzyl-8,26-dichloro-12,17-dioxa-1,4,19,22,...) Show SMILES Clc1ccc2OCCCCOC(=O)NC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O Show InChI InChI=1S/C27H29Cl2N5O5/c28-20-8-9-22-19(13-20)14-30-24(35)17-34-23(29)16-31-25(26(34)36)33-21(12-18-6-2-1-3-7-18)15-32-27(37)39-11-5-4-10-38-22/h1-3,6-9,13,16,21H,4-5,10-12,14-15,17H2,(H,30,35)(H,31,33)(H,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thrombin IIa				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50131465 ((S)-21-Benzyl-8,26-dichloro-12,17-dioxa-1,4,19,22,...) Show SMILES Clc1ccc2OCCCCOC(=O)NC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O Show InChI InChI=1S/C27H29Cl2N5O5/c28-20-8-9-22-19(13-20)14-30-24(35)17-34-23(29)16-31-25(26(34)36)33-21(12-18-6-2-1-3-7-18)15-32-27(37)39-11-5-4-10-38-22/h1-3,6-9,13,16,21H,4-5,10-12,14-15,17H2,(H,30,35)(H,31,33)(H,32,37)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human trypsin				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
					More data for this Ligand-Target Pair