BDBM98579 US8476306, 6.4::methyl 4-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]sulfamoylmethyl]benzoate

SMILES: COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=VNHHRJRZJZNYCL-GOSISDBHSA-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 = 98579   

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)	BDBM98579 (US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...) Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	180	-9.16	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)	BDBM98579 (US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...) Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	620	-8.43	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
Thrombin (Rattus norvegicus)	BDBM98579 (US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...) Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.40E+3	-6.83	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
Plasmin (Rattus norvegicus)	BDBM98579 (US8476306, 6.4 | methyl 4-[[(1R)-2-[[2-[(4-carbami...) Show SMILES COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C22H27N5O7S/c1-34-22(31)17-8-4-15(5-9-17)13-35(32,33)27-18(12-28)21(30)26-11-19(29)25-10-14-2-6-16(7-3-14)20(23)24/h2-9,18,27-28H,10-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+4	-6.48	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