BDBM50078547 3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-(5-phenyl-pentyl)-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl]-N,N-diethyl-benzamide::CHEMBL296972

SMILES: CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3CCCCCc3ccccc3)c2c1

InChI Key: InChIKey=KKVROIJUGNLEGV-YFKWQYMLSA-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 = 50078547   

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))	BDBM50078547 (3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3CCCCCc3ccccc3)c2c1 Show InChI InChI=1S/C38H48N4O2/c1-3-41(4-2)37(43)31-18-13-17-28(24-31)29-21-22-30-26-34-36(33(30)25-29)32(19-10-11-20-35(39)40)38(44)42(34)23-12-6-9-16-27-14-7-5-8-15-27/h5,7-8,13-15,17-18,21-22,24-25,32,34,36H,3-4,6,9-12,16,19-20,23,26H2,1-2H3,(H3,39,40)/t32-,34+,36+/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	>5.00E+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 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
Prothrombin (Homo sapiens (Human))	BDBM50078547 (3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3CCCCCc3ccccc3)c2c1 Show InChI InChI=1S/C38H48N4O2/c1-3-41(4-2)37(43)31-18-13-17-28(24-31)29-21-22-30-26-34-36(33(30)25-29)32(19-10-11-20-35(39)40)38(44)42(34)23-12-6-9-16-27-14-7-5-8-15-27/h5,7-8,13-15,17-18,21-22,24-25,32,34,36H,3-4,6,9-12,16,19-20,23,26H2,1-2H3,(H3,39,40)/t32-,34+,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+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 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))	BDBM50078547 (3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3CCCCCc3ccccc3)c2c1 Show InChI InChI=1S/C38H48N4O2/c1-3-41(4-2)37(43)31-18-13-17-28(24-31)29-21-22-30-26-34-36(33(30)25-29)32(19-10-11-20-35(39)40)38(44)42(34)23-12-6-9-16-27-14-7-5-8-15-27/h5,7-8,13-15,17-18,21-22,24-25,32,34,36H,3-4,6,9-12,16,19-20,23,26H2,1-2H3,(H3,39,40)/t32-,34+,36+/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	>5.00E+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 trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair