BDBM50112519 ({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-1H-benzoimidazol-4-yl}-carboxymethyl-amino)-acetic acid::CHEMBL281591

SMILES: CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N

InChI Key: InChIKey=JPYVARSPHAMEHS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50112519   

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
Serine protease 1 (Homo sapiens (Human))	BDBM50112519 (({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...) Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112519 (({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...) Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112519 (({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...) Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair