BDBM50078558 5-[(3R,3aS,8aS)-2-Oxo-1-(5-phenyl-pentyl)-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-3-yl]-pentanamidine::CHEMBL46923

SMILES: NC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccccc23)N(CCCCCc2ccccc2)C1=O

InChI Key: InChIKey=QKUOYYOPSMNOBQ-RMTZWNOUSA-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 = 50078558   

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))	BDBM50078558 (5-[(3R,3aS,8aS)-2-Oxo-1-(5-phenyl-pentyl)-1,2,3,3a...) Show SMILES NC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccccc23)N(CCCCCc2ccccc2)C1=O Show InChI InChI=1S/C27H35N3O/c28-25(29)17-9-8-16-23-26-22-15-7-6-14-21(22)19-24(26)30(27(23)31)18-10-2-5-13-20-11-3-1-4-12-20/h1,3-4,6-7,11-12,14-15,23-24,26H,2,5,8-10,13,16-19H2,(H3,28,29)/t23-,24+,26-/m1/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50078558 (5-[(3R,3aS,8aS)-2-Oxo-1-(5-phenyl-pentyl)-1,2,3,3a...) Show SMILES NC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccccc23)N(CCCCCc2ccccc2)C1=O Show InChI InChI=1S/C27H35N3O/c28-25(29)17-9-8-16-23-26-22-15-7-6-14-21(22)19-24(26)30(27(23)31)18-10-2-5-13-20-11-3-1-4-12-20/h1,3-4,6-7,11-12,14-15,23-24,26H,2,5,8-10,13,16-19H2,(H3,28,29)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078558 (5-[(3R,3aS,8aS)-2-Oxo-1-(5-phenyl-pentyl)-1,2,3,3a...) Show SMILES NC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccccc23)N(CCCCCc2ccccc2)C1=O Show InChI InChI=1S/C27H35N3O/c28-25(29)17-9-8-16-23-26-22-15-7-6-14-21(22)19-24(26)30(27(23)31)18-10-2-5-13-20-11-3-1-4-12-20/h1,3-4,6-7,11-12,14-15,23-24,26H,2,5,8-10,13,16-19H2,(H3,28,29)/t23-,24+,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair