BDBM50078552 (3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethylcarbamoyl-phenyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrole-1-carboxylic acid 3-phenyl-propyl ester::CHEMBL47102

SMILES: CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OCCCc3ccccc3)c2c1

InChI Key: InChIKey=SXBVIWSLSYULRK-LLISZCHOSA-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 = 50078552   

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
Prothrombin (Homo sapiens (Human))	BDBM50078552 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OCCCc3ccccc3)c2c1 Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)29-16-10-15-26(22-29)27-19-20-28-24-32-34(31(28)23-27)30(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,30,32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t30-,32+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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
Trypsin-1 (Homo sapiens (Human))	BDBM50078552 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OCCCc3ccccc3)c2c1 Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)29-16-10-15-26(22-29)27-19-20-28-24-32-34(31(28)23-27)30(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,30,32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t30-,32+,34+/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	2.30E+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
Coagulation factor X (Homo sapiens (Human))	BDBM50078552 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OCCCc3ccccc3)c2c1 Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)29-16-10-15-26(22-29)27-19-20-28-24-32-34(31(28)23-27)30(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,30,32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t30-,32+,34+/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	3.70E+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 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