BDBM50131473 (S)-20-Benzyl-8,25-dichloro-12-oxa-1,4,19,21,23-pentaaza-tricyclo[20.3.1.0*6,11*]hexacosa-6(11),7,9,22,24-pentaene-3,26-dione::CHEMBL317393

SMILES: Clc1ccc2OCCCCCCN[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O

InChI Key: InChIKey=AJEASRLDZKLAGW-DEOSSOPVSA-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 = 50131473   

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))	BDBM50131473 ((S)-20-Benzyl-8,25-dichloro-12-oxa-1,4,19,21,23-pe...) Show SMILES Clc1ccc2OCCCCCCN[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O Show InChI InChI=1S/C27H31Cl2N5O3/c28-21-10-11-22-20(15-21)16-31-25(35)18-34-23(29)17-32-26(27(34)36)33-24(14-19-8-4-3-5-9-19)30-12-6-1-2-7-13-37-22/h3-5,8-11,15,17,24,30H,1-2,6-7,12-14,16,18H2,(H,31,35)(H,32,33)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	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))	BDBM50131473 ((S)-20-Benzyl-8,25-dichloro-12-oxa-1,4,19,21,23-pe...) Show SMILES Clc1ccc2OCCCCCCN[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O Show InChI InChI=1S/C27H31Cl2N5O3/c28-21-10-11-22-20(15-21)16-31-25(35)18-34-23(29)17-32-26(27(34)36)33-24(14-19-8-4-3-5-9-19)30-12-6-1-2-7-13-37-22/h3-5,8-11,15,17,24,30H,1-2,6-7,12-14,16,18H2,(H,31,35)(H,32,33)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	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