BDBM50070782 (S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-methyl-2-(4-propyl-benzenesulfonylamino)-propionamide::CHEMBL46842

SMILES: CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)N(C)C1CCCC1

InChI Key: InChIKey=PLQXDEDATDHCQS-QHCPKHFHSA-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 = 50070782   

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))	BDBM50070782 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H34N4O3S/c1-3-6-18-11-15-22(16-12-18)33(31,32)28-23(25(30)29(2)21-7-4-5-8-21)17-19-9-13-20(14-10-19)24(26)27/h9-16,21,23,28H,3-8,17H2,1-2H3,(H3,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50070782 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H34N4O3S/c1-3-6-18-11-15-22(16-12-18)33(31,32)28-23(25(30)29(2)21-7-4-5-8-21)17-19-9-13-20(14-10-19)24(26)27/h9-16,21,23,28H,3-8,17H2,1-2H3,(H3,26,27)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair