BDBM98601 (2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]acetyl]amino]-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]hexanamide; 2,2,2-trifluoroacetic acid::US8476306, 10

SMILES: NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=WWDFPEZFNGBGEX-ZESVVUHVSA-N

Data: 4 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 4 hits for monomerid = 98601   

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
Trypsin (Rattus norvegicus)	BDBM98601 ((2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)...) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C44H72N8O15S/c45-13-16-60-18-20-62-22-24-64-26-28-66-29-27-65-25-23-63-21-19-61-17-15-49-41(55)33-67-32-40(54)48-14-5-4-8-38(43(56)50-30-35-9-11-37(12-10-35)42(46)47)51-44(57)39(31-53)52-68(58,59)34-36-6-2-1-3-7-36/h1-3,6-7,9-12,38-39,52-53H,4-5,8,13-34,45H2,(H3,46,47)(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t38-,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.70	-11.3	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Trypsin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Plasminogen activator urokinase (Rattus norvegicus)	BDBM98601 ((2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)...) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C44H72N8O15S/c45-13-16-60-18-20-62-22-24-64-26-28-66-29-27-65-25-23-63-21-19-61-17-15-49-41(55)33-67-32-40(54)48-14-5-4-8-38(43(56)50-30-35-9-11-37(12-10-35)42(46)47)51-44(57)39(31-53)52-68(58,59)34-36-6-2-1-3-7-36/h1-3,6-7,9-12,38-39,52-53H,4-5,8,13-34,45H2,(H3,46,47)(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t38-,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	42	-10.0	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Plasminogen activator urokinase				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Plasmin (Rattus norvegicus)	BDBM98601 ((2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)...) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C44H72N8O15S/c45-13-16-60-18-20-62-22-24-64-26-28-66-29-27-65-25-23-63-21-19-61-17-15-49-41(55)33-67-32-40(54)48-14-5-4-8-38(43(56)50-30-35-9-11-37(12-10-35)42(46)47)51-44(57)39(31-53)52-68(58,59)34-36-6-2-1-3-7-36/h1-3,6-7,9-12,38-39,52-53H,4-5,8,13-34,45H2,(H3,46,47)(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t38-,39+/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	530	-8.53	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Plasmin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair
Thrombin (Rattus norvegicus)	BDBM98601 ((2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)...) Show SMILES NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C44H72N8O15S/c45-13-16-60-18-20-62-22-24-64-26-28-66-29-27-65-25-23-63-21-19-61-17-15-49-41(55)33-67-32-40(54)48-14-5-4-8-38(43(56)50-30-35-9-11-37(12-10-35)42(46)47)51-44(57)39(31-53)52-68(58,59)34-36-6-2-1-3-7-36/h1-3,6-7,9-12,38-39,52-53H,4-5,8,13-34,45H2,(H3,46,47)(H,48,54)(H,49,55)(H,50,56)(H,51,57)/t38-,39+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40E+3	-7.95	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Thrombin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
					More data for this Ligand-Target Pair