BDBM50410910 CHEMBL377651

SMILES: NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1

InChI Key: InChIKey=IDYXWNLWEWPKFX-PPJGDPJPSA-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 = 50410910   

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))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of beta tryptase				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair