BDBM50031707 4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]-benzoic acid 4-carbamimidoyl-phenyl ester; compound with methanesulfonic acid::CHEMBL85154

SMILES: C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O

InChI Key: InChIKey=YZNRBKWDIOXEAU-FYWRMAATSA-N

Data: 8 IC50

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 8 hits for monomerid = 50031707   

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
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Met-pNA) for cathepsin G in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.13	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Plasmin (Rattus norvegicus)	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Val-pNA) for sputum elastase in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50031707 (4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...) Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.				J Med Chem 38: 2521-3 (1995) BindingDB Entry DOI: 10.7270/Q2MC8Z12
					More data for this Ligand-Target Pair