BDBM98588 (2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxy-propanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]propanamide::US8476306, 6.14

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

InChI Key: InChIKey=BZFNGVIFENBIEV-ZWKOTPCHSA-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 = 98588   

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)	BDBM98588 ((2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...) Show SMILES NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H28N6O5S/c22-10-17(20(29)25-11-14-6-8-16(9-7-14)19(23)24)26-21(30)18(12-28)27-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,27-28H,10-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	21	-10.4	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)	BDBM98588 ((2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...) Show SMILES NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H28N6O5S/c22-10-17(20(29)25-11-14-6-8-16(9-7-14)19(23)24)26-21(30)18(12-28)27-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,27-28H,10-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	36	-10.1	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)	BDBM98588 ((2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...) Show SMILES NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H28N6O5S/c22-10-17(20(29)25-11-14-6-8-16(9-7-14)19(23)24)26-21(30)18(12-28)27-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,27-28H,10-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	780	-8.30	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)	BDBM98588 ((2S)-3-amino-2-[[(2R)-2-(benzylsulfonylamino)-3-hy...) Show SMILES NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H28N6O5S/c22-10-17(20(29)25-11-14-6-8-16(9-7-14)19(23)24)26-21(30)18(12-28)27-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,27-28H,10-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t17-,18+/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	810	-8.28	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