BDBM50084088 2-Chloro-benzenesulfonic acid 3-(4-carbamimidoyl-cyclohexylmethoxy)-5-methyl-phenyl ester::CHEMBL169159

SMILES: Cc1cc(OC[C@H]2CC[C@@H](CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

InChI Key: InChIKey=FIMQWVGQCTVGKN-WKILWMFISA-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 = 50084088   

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))	BDBM50084088 (2-Chloro-benzenesulfonic acid 3-(4-carbamimidoyl-c...) Show SMILES Cc1cc(OC[C@H]2CC[C@@H](CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |wU:9.12,wD:6.5,(5.39,4.62,;5.39,3.08,;6.72,2.31,;6.72,.77,;8.05,,;9.41,.77,;10.74,,;10.72,-1.55,;12.05,-2.32,;13.38,-1.57,;13.41,-.02,;12.07,.76,;14.71,-2.34,;16.07,-1.57,;14.71,-3.88,;5.39,.02,;4.08,.79,;2.72,,;1.39,.77,;2.16,2.1,;.05,1.54,;.05,-.01,;.05,-1.57,;-1.28,-2.34,;-2.61,-1.57,;-2.61,-.01,;-1.28,.76,;-1.3,2.31,;4.08,2.31,)| Show InChI InChI=1S/C21H25ClN2O4S/c1-14-10-17(27-13-15-6-8-16(9-7-15)21(23)24)12-18(11-14)28-29(25,26)20-5-3-2-4-19(20)22/h2-5,10-12,15-16H,6-9,13H2,1H3,(H3,23,24)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50084088 (2-Chloro-benzenesulfonic acid 3-(4-carbamimidoyl-c...) Show SMILES Cc1cc(OC[C@H]2CC[C@@H](CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |wU:9.12,wD:6.5,(5.39,4.62,;5.39,3.08,;6.72,2.31,;6.72,.77,;8.05,,;9.41,.77,;10.74,,;10.72,-1.55,;12.05,-2.32,;13.38,-1.57,;13.41,-.02,;12.07,.76,;14.71,-2.34,;16.07,-1.57,;14.71,-3.88,;5.39,.02,;4.08,.79,;2.72,,;1.39,.77,;2.16,2.1,;.05,1.54,;.05,-.01,;.05,-1.57,;-1.28,-2.34,;-2.61,-1.57,;-2.61,-.01,;-1.28,.76,;-1.3,2.31,;4.08,2.31,)| Show InChI InChI=1S/C21H25ClN2O4S/c1-14-10-17(27-13-15-6-8-16(9-7-15)21(23)24)12-18(11-14)28-29(25,26)20-5-3-2-4-19(20)22/h2-5,10-12,15-16H,6-9,13H2,1H3,(H3,23,24)/t15-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Serine protease chymotrypsin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair