BDBM50410912 CHEMBL379174

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

InChI Key: InChIKey=NGQUMXOLNIFDTR-ZYFBVDIJSA-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 = 50410912   

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
Tryptase (Homo sapiens (Human))	BDBM50410912 (CHEMBL379174) Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/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	2.50E+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
Plasminogen (Homo sapiens (Human))	BDBM50410912 (CHEMBL379174) Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/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	4.03E+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
Prothrombin (Homo sapiens (Human))	BDBM50410912 (CHEMBL379174) Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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