BDBM50037974 (R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-(4-nitro-phenyl)-propionamide; hydrochloride::CHEMBL555314

SMILES: N\C([NH-])=[N+]1/CCCC(CNC(=O)C(Cc2ccc(cc2)[N+]([O-])=O)NS(=O)(=O)c2ccc3ccccc3c2)C1

InChI Key: InChIKey=LZCPIGJSXBMHJN-UHFFFAOYSA-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 = 50037974   

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
Prothrombin (Homo sapiens (Human))	BDBM50037974 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) Show SMILES N\C([NH-])=[N+]1/CCCC(CNC(=O)C(Cc2ccc(cc2)[N+]([O-])=O)NS(=O)(=O)c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C26H30N6O5S/c27-26(28)31-13-3-4-19(17-31)16-29-25(33)24(14-18-7-10-22(11-8-18)32(34)35)30-38(36,37)23-12-9-20-5-1-2-6-21(20)15-23/h1-2,5-12,15,19,24,30H,3-4,13-14,16-17H2,(H4,27,28,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity by measuring the inhibition of human thrombin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037974 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) Show SMILES N\C([NH-])=[N+]1/CCCC(CNC(=O)C(Cc2ccc(cc2)[N+]([O-])=O)NS(=O)(=O)c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C26H30N6O5S/c27-26(28)31-13-3-4-19(17-31)16-29-25(33)24(14-18-7-10-22(11-8-18)32(34)35)30-38(36,37)23-12-9-20-5-1-2-6-21(20)15-23/h1-2,5-12,15,19,24,30H,3-4,13-14,16-17H2,(H4,27,28,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity by measuring the inhibition of human thrombin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50037974 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) Show SMILES N\C([NH-])=[N+]1/CCCC(CNC(=O)C(Cc2ccc(cc2)[N+]([O-])=O)NS(=O)(=O)c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C26H30N6O5S/c27-26(28)31-13-3-4-19(17-31)16-29-25(33)24(14-18-7-10-22(11-8-18)32(34)35)30-38(36,37)23-12-9-20-5-1-2-6-21(20)15-23/h1-2,5-12,15,19,24,30H,3-4,13-14,16-17H2,(H4,27,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity by measuring the inhibition of bovine trypsin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50037974 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) Show SMILES N\C([NH-])=[N+]1/CCCC(CNC(=O)C(Cc2ccc(cc2)[N+]([O-])=O)NS(=O)(=O)c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C26H30N6O5S/c27-26(28)31-13-3-4-19(17-31)16-29-25(33)24(14-18-7-10-22(11-8-18)32(34)35)30-38(36,37)23-12-9-20-5-1-2-6-21(20)15-23/h1-2,5-12,15,19,24,30H,3-4,13-14,16-17H2,(H4,27,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity by measuring the inhibition of bovine trypsin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
					More data for this Ligand-Target Pair