BDBM50071723 (S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-benzocycloheptene-2-sulfonylamino)-propionamide::CHEMBL316205

SMILES: CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1

InChI Key: InChIKey=FRWGOOHSKJKRKQ-SANMLTNESA-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 = 50071723   

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))	BDBM50071723 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50071723 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30E+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 Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair