BDBM50078549 (3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethylcarbamoyl-phenyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrole-1-carboxylic acid ethylamide::CHEMBL296764

SMILES: CCNC(=O)N1[C@H]2Cc3cc(ccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O)-c1cccc(c1)C(=O)N(CC)CC

InChI Key: InChIKey=JVDFVNJPTQHXBV-CMTIAEDTSA-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 = 50078549   

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))	BDBM50078549 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCNC(=O)N1[C@H]2Cc3cc(ccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O)-c1cccc(c1)C(=O)N(CC)CC Show InChI InChI=1S/C30H39N5O3/c1-4-33-30(38)35-25-18-22-17-20(19-10-9-11-21(16-19)28(36)34(5-2)6-3)14-15-23(22)27(25)24(29(35)37)12-7-8-13-26(31)32/h9-11,14-17,24-25,27H,4-8,12-13,18H2,1-3H3,(H3,31,32)(H,33,38)/t24-,25+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+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))	BDBM50078549 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCNC(=O)N1[C@H]2Cc3cc(ccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O)-c1cccc(c1)C(=O)N(CC)CC Show InChI InChI=1S/C30H39N5O3/c1-4-33-30(38)35-25-18-22-17-20(19-10-9-11-21(16-19)28(36)34(5-2)6-3)14-15-23(22)27(25)24(29(35)37)12-7-8-13-26(31)32/h9-11,14-17,24-25,27H,4-8,12-13,18H2,1-3H3,(H3,31,32)(H,33,38)/t24-,25+,27-/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	1.70E+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
Coagulation factor X (Homo sapiens (Human))	BDBM50078549 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCNC(=O)N1[C@H]2Cc3cc(ccc3[C@@H]2[C@@H](CCCCC(N)=N)C1=O)-c1cccc(c1)C(=O)N(CC)CC Show InChI InChI=1S/C30H39N5O3/c1-4-33-30(38)35-25-18-22-17-20(19-10-9-11-21(16-19)28(36)34(5-2)6-3)14-15-23(22)27(25)24(29(35)37)12-7-8-13-26(31)32/h9-11,14-17,24-25,27H,4-8,12-13,18H2,1-3H3,(H3,31,32)(H,33,38)/t24-,25+,27-/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	5.60E+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