BDBM50289558 CHEMBL40071::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(3-methyl-2,6-dioxo-5-phenylmethanesulfonylamino-3,6-dihydro-2H-pyrimidin-1-yl)-acetamide

SMILES: Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

InChI Key: InChIKey=QTYFXTWDKLMQPO-MBIQTGHCSA-N

Data: 5 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 5 hits for monomerid = 50289558   

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-1 (Homo sapiens (Human))	BDBM50289558 (CHEMBL40071 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) Show SMILES Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C20H27N7O6S/c1-25-10-15(24-34(32,33)12-13-6-3-2-4-7-13)18(30)27(20(25)31)11-16(28)23-14-8-5-9-26(17(14)29)19(21)22/h2-4,6-7,10,14,17,24,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,23,28)/t14-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human trypsin enzyme was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50289558 (CHEMBL40071 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) Show SMILES Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C20H27N7O6S/c1-25-10-15(24-34(32,33)12-13-6-3-2-4-7-13)18(30)27(20(25)31)11-16(28)23-14-8-5-9-26(17(14)29)19(21)22/h2-4,6-7,10,14,17,24,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,23,28)/t14-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human thrombin enzyme was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50289558 (CHEMBL40071 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) Show SMILES Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C20H27N7O6S/c1-25-10-15(24-34(32,33)12-13-6-3-2-4-7-13)18(30)27(20(25)31)11-16(28)23-14-8-5-9-26(17(14)29)19(21)22/h2-4,6-7,10,14,17,24,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,23,28)/t14-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human factor Xa enzyme was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50289558 (CHEMBL40071 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) Show SMILES Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C20H27N7O6S/c1-25-10-15(24-34(32,33)12-13-6-3-2-4-7-13)18(30)27(20(25)31)11-16(28)23-14-8-5-9-26(17(14)29)19(21)22/h2-4,6-7,10,14,17,24,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,23,28)/t14-,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human plasmin enzyme was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50289558 (CHEMBL40071 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) Show SMILES Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O Show InChI InChI=1S/C20H27N7O6S/c1-25-10-15(24-34(32,33)12-13-6-3-2-4-7-13)18(30)27(20(25)31)11-16(28)23-14-8-5-9-26(17(14)29)19(21)22/h2-4,6-7,10,14,17,24,29H,5,8-9,11-12H2,1H3,(H3,21,22)(H,23,28)/t14-,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required to inhibit human Tissue type plasminogen activator was determined				Bioorg Med Chem Lett 7: 1543-1548 (1997) Article DOI: 10.1016/S0960-894X(97)00258-8 BindingDB Entry DOI: 10.7270/Q2HD7VNX
					More data for this Ligand-Target Pair