BDBM50072844 CHEMBL153334::[1-(3-Carbamimidoyl-benzyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

SMILES: CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C

InChI Key: InChIKey=YFSVEQAACJQEOL-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 = 50072844   

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
Thrombin (Bos taurus (Bovine))	BDBM50072844 (CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50072844 (CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50072844 (CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50072844 (CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine coagulation factor X expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair