null

SMILES: COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N

InChI Key: InChIKey=PVALLOSAENRPQO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50062035   

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 (Oryctolagus cuniculus)	BDBM50062035 (5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of serine protease factor Xa enzyme.				Bioorg Med Chem Lett 8: 3143-8 (1999) BindingDB Entry DOI: 10.7270/Q2X0666F
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50062035 (5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50062035 (5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062035 (5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of thrombin				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair