BDBM50078545 Acetic acid (3R,3aS,8aS)-3-(4-carbamimidoyl-butyl)-5-(3-diethylcarbamoyl-phenyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrol-1-ylmethyl ester::CHEMBL46993

SMILES: CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3COC(C)=O)c2c1

InChI Key: InChIKey=GKIHXHVLEWLVGT-XDIPAPSNSA-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 = 50078545   

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))	BDBM50078545 (Acetic acid (3R,3aS,8aS)-3-(4-carbamimidoyl-butyl)...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3COC(C)=O)c2c1 Show InChI InChI=1S/C30H38N4O4/c1-4-33(5-2)29(36)23-10-8-9-20(15-23)21-13-14-22-17-26-28(25(22)16-21)24(11-6-7-12-27(31)32)30(37)34(26)18-38-19(3)35/h8-10,13-16,24,26,28H,4-7,11-12,17-18H2,1-3H3,(H3,31,32)/t24-,26+,28+/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	1.40E+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))	BDBM50078545 (Acetic acid (3R,3aS,8aS)-3-(4-carbamimidoyl-butyl)...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3COC(C)=O)c2c1 Show InChI InChI=1S/C30H38N4O4/c1-4-33(5-2)29(36)23-10-8-9-20(15-23)21-13-14-22-17-26-28(25(22)16-21)24(11-6-7-12-27(31)32)30(37)34(26)18-38-19(3)35/h8-10,13-16,24,26,28H,4-7,11-12,17-18H2,1-3H3,(H3,31,32)/t24-,26+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+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
Trypsin-1 (Homo sapiens (Human))	BDBM50078545 (Acetic acid (3R,3aS,8aS)-3-(4-carbamimidoyl-butyl)...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3COC(C)=O)c2c1 Show InChI InChI=1S/C30H38N4O4/c1-4-33(5-2)29(36)23-10-8-9-20(15-23)21-13-14-22-17-26-28(25(22)16-21)24(11-6-7-12-27(31)32)30(37)34(26)18-38-19(3)35/h8-10,13-16,24,26,28H,4-7,11-12,17-18H2,1-3H3,(H3,31,32)/t24-,26+,28+/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	3.60E+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