BDBM50111109 {(R)-1-Benzhydryl-2-[(S)-2-(4-carbamimidoyl-benzylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-phosphoramidic acid dimethyl ester; trifluoroacetate

SMILES: COP([O-])([O-])(N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)OC

InChI Key: InChIKey=XOMVNKZMCIRROV-AHKZPQOWSA-N

Data: 2 KI

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 2 hits for monomerid = 50111109   

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))	BDBM50111109 ({(R)-1-Benzhydryl-2-[(S)-2-(4-carbamimidoyl-benzyl...) Show SMILES COP([O-])([O-])(N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)OC Show InChI InChI=1S/C30H36N5O6P/c1-40-42(38,39,41-2)34-27(26(22-10-5-3-6-11-22)23-12-7-4-8-13-23)30(37)35-19-9-14-25(35)29(36)33-20-21-15-17-24(18-16-21)28(31)32/h3-8,10-13,15-18,25-27,34H,9,14,19-20H2,1-2H3,(H3,31,32)(H,33,36)/q-2/t25-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against human thrombin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50111109 ({(R)-1-Benzhydryl-2-[(S)-2-(4-carbamimidoyl-benzyl...) Show SMILES COP([O-])([O-])(N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)OC Show InChI InChI=1S/C30H36N5O6P/c1-40-42(38,39,41-2)34-27(26(22-10-5-3-6-11-22)23-12-7-4-8-13-23)30(37)35-19-9-14-25(35)29(36)33-20-21-15-17-24(18-16-21)28(31)32/h3-8,10-13,15-18,25-27,34H,9,14,19-20H2,1-2H3,(H3,31,32)(H,33,36)/q-2/t25-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against bovine trypsin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair