BDBM50123417 2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phenyl}-methanesulfonyl-amino)-methyl]-1-methyl-1H-indole-6-carboxamidine::CHEMBL153134

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O

InChI Key: InChIKey=UCJLZYHARBIVAX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50123417   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50123417 (2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-8-6-20(7-9-22)31(35(3,32)33)16-21-14-18-4-5-19(25(27)28)15-24(18)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound to factor Xa				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123417 (2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-8-6-20(7-9-22)31(35(3,32)33)16-21-14-18-4-5-19(25(27)28)15-24(18)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of factor II				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair
Trypsin II (Rattus norvegicus)	BDBM50123417 (2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-8-6-20(7-9-22)31(35(3,32)33)16-21-14-18-4-5-19(25(27)28)15-24(18)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair