BindingDB PrimarySearch

BDBM50037996 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine::CHEMBL51173::N-[(R)-1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide::N-[1-(4-Carbamimidoyl-benzyl)-2-(3,4-dihydro-2H-pyridin-1-yl)-2-oxo-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide::N-[1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide::N-[1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide(NAPAP)

SMILES: NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

InChI Key: InChIKey=XXTWZTPVNIYSJZ-XMMPIXPASA-N

Data: 18 KI 7 IC50 1 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50037996
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	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 human thrombin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the thrombin inhibition.				Bioorg Med Chem Lett 9: 2837-42 (1999) BindingDB Entry DOI: 10.7270/Q2SB468S
NV Organon Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
Rh£ne-Poulenc Rorer Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.				Bioorg Med Chem Lett 7: 1283-1288 (1997) Article DOI: 10.1016/S0960-894X(97)00210-2 BindingDB Entry DOI: 10.7270/Q29W0FZ9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin (Bos taurus (Bovine))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory Activity against bovine thrombin				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
Boehringer Ingelheim Pharma KG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin (Bos taurus (Bovine))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human thrombin (using Chromozym TH as the substrate)				J Med Chem 43: 1793-806 (2000) BindingDB Entry DOI: 10.7270/Q2NZ88B0
Universit£ degli Studi Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin (Bos taurus (Bovine))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory effect against bovine thrombin				Bioorg Med Chem Lett 7: 769-774 (1997) Article DOI: 10.1016/S0960-894X(97)00115-7 BindingDB Entry DOI: 10.7270/Q2B27V9F
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory effect of compound was measured in bovine trypsin				Bioorg Med Chem Lett 7: 769-774 (1997) Article DOI: 10.1016/S0960-894X(97)00115-7 BindingDB Entry DOI: 10.7270/Q2B27V9F
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	690	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.				Bioorg Med Chem Lett 7: 1283-1288 (1997) Article DOI: 10.1016/S0960-894X(97)00210-2 BindingDB Entry DOI: 10.7270/Q29W0FZ9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin II (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human trypsin (using Chromozym TH as the substrate)				J Med Chem 43: 1793-806 (2000) BindingDB Entry DOI: 10.7270/Q2NZ88B0
Universit£ degli Studi Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory Activity against bovine beta-trypsin				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
Boehringer Ingelheim Pharma KG Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin II (Bos taurus)	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against bovine Thrombin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
University of Parma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Bos taurus)	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory Activity against bovine Coagulation factor X				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
Boehringer Ingelheim Pharma KG Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against coagulation factor X.				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against Plasmin.				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.				Bioorg Med Chem Lett 7: 1283-1288 (1997) Article DOI: 10.1016/S0960-894X(97)00210-2 BindingDB Entry DOI: 10.7270/Q29W0FZ9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Effective concentration against thrombin was determined				Bioorg Med Chem Lett 9: 2013-8 (1999) BindingDB Entry DOI: 10.7270/Q26H4HXG
Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepsin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
University of Helsinki Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description In vitro trypsin inhibition				Bioorg Med Chem Lett 9: 2837-42 (1999) BindingDB Entry DOI: 10.7270/Q2SB468S
NV Organon Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against thrombin				Bioorg Med Chem Lett 9: 685-90 (1999) BindingDB Entry DOI: 10.7270/Q2KK9C89
NV Organon Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin-1 (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against trypsin				Bioorg Med Chem Lett 9: 685-90 (1999) BindingDB Entry DOI: 10.7270/Q2KK9C89
NV Organon Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
NV Organon Curated by ChEMBL					Assay Description In vitro thrombin inhibition				Bioorg Med Chem Lett 9: 2837-42 (1999) BindingDB Entry DOI: 10.7270/Q2SB468S
NV Organon Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X/antithrombin III (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Antithrombin III (ATIII)-mediated anti-Xa activity was determined				Bioorg Med Chem Lett 9: 2013-8 (1999) BindingDB Entry DOI: 10.7270/Q26H4HXG
Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibition of human thrombin by chromogenic assay				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
Boehringer Ingelheim Pharma KG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)