BDBM98586 (2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-propanamide::US8476306, 6.11

SMILES: NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1

InChI Key: InChIKey=XTINWPDNJKDTDS-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 = 98586   

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
Plasminogen activator urokinase (Rattus norvegicus)	BDBM98586 ((2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino...) Show SMILES NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(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	120	-9.40	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
Trypsin (Rattus norvegicus)	BDBM98586 ((2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino...) Show SMILES NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(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	280	-8.90	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
Plasmin (Rattus norvegicus)	BDBM98586 ((2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino...) Show SMILES NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(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	7.40E+3	-6.97	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)	BDBM98586 ((2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino...) Show SMILES NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(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	8.00E+3	-6.93	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