BDBM50078550 CHEMBL295211::[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrol-1-yl]-acetic acid methyl ester

SMILES: COC(=O)CN1[C@H]2Cc3ccccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O

InChI Key: InChIKey=PJNIJOHEXAJXHR-RVKKMQEKSA-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 = 50078550   

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))	BDBM50078550 (CHEMBL295211 | [(3R,3aS,8aS)-3-(4-Carbamimidoyl-bu...) Show SMILES COC(=O)CN1[C@H]2Cc3ccccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O Show InChI InChI=1S/C19H25N3O3/c1-25-17(23)11-22-15-10-12-6-2-3-7-13(12)18(15)14(19(22)24)8-4-5-9-16(20)21/h2-3,6-7,14-15,18H,4-5,8-11H2,1H3,(H3,20,21)/t14-,15+,18-/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	>2.00E+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))	BDBM50078550 (CHEMBL295211 | [(3R,3aS,8aS)-3-(4-Carbamimidoyl-bu...) Show SMILES COC(=O)CN1[C@H]2Cc3ccccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O Show InChI InChI=1S/C19H25N3O3/c1-25-17(23)11-22-15-10-12-6-2-3-7-13(12)18(15)14(19(22)24)8-4-5-9-16(20)21/h2-3,6-7,14-15,18H,4-5,8-11H2,1H3,(H3,20,21)/t14-,15+,18-/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	>2.00E+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 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))	BDBM50078550 (CHEMBL295211 | [(3R,3aS,8aS)-3-(4-Carbamimidoyl-bu...) Show SMILES COC(=O)CN1[C@H]2Cc3ccccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O Show InChI InChI=1S/C19H25N3O3/c1-25-17(23)11-22-15-10-12-6-2-3-7-13(12)18(15)14(19(22)24)8-4-5-9-16(20)21/h2-3,6-7,14-15,18H,4-5,8-11H2,1H3,(H3,20,21)/t14-,15+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+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