BDBM50131462 (S)-20-Benzyl-25-chloro-12-oxa-1,4,18,21,23-pentaaza-tricyclo[20.3.1.0*6,11*]hexacosa-6(11),7,9,22,24-pentaene-3,26-dione::CHEMBL329266

SMILES: Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O

InChI Key: InChIKey=QZIXPYQULZYTPK-QFIPXVFZSA-N

Data: 3 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 3 hits for monomerid = 50131462   

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))	BDBM50131462 ((S)-20-Benzyl-25-chloro-12-oxa-1,4,18,21,23-pentaa...) Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O Show InChI InChI=1S/C27H32ClN5O3/c28-24-18-31-26-27(35)33(24)19-25(34)30-16-21-11-5-6-12-23(21)36-14-8-2-7-13-29-17-22(32-26)15-20-9-3-1-4-10-20/h1,3-6,9-12,18,22,29H,2,7-8,13-17,19H2,(H,30,34)(H,31,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50131462 ((S)-20-Benzyl-25-chloro-12-oxa-1,4,18,21,23-pentaa...) Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O Show InChI InChI=1S/C27H32ClN5O3/c28-24-18-31-26-27(35)33(24)19-25(34)30-16-21-11-5-6-12-23(21)36-14-8-2-7-13-29-17-22(32-26)15-20-9-3-1-4-10-20/h1,3-6,9-12,18,22,29H,2,7-8,13-17,19H2,(H,30,34)(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	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 Tissue plasminogen activator				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))	BDBM50131462 ((S)-20-Benzyl-25-chloro-12-oxa-1,4,18,21,23-pentaa...) Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCCOc3ccccc3CNC(=O)Cn1c2=O Show InChI InChI=1S/C27H32ClN5O3/c28-24-18-31-26-27(35)33(24)19-25(34)30-16-21-11-5-6-12-23(21)36-14-8-2-7-13-29-17-22(32-26)15-20-9-3-1-4-10-20/h1,3-6,9-12,18,22,29H,2,7-8,13-17,19H2,(H,30,34)(H,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70E+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