BDBM50097753 CHEMBL349451::N-{(R)-[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-cyclohexyl-methyl}-3-carbamimidoyl-benzamide

SMILES: NCC1CCC(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)C2CCCCC2)CC1

InChI Key: InChIKey=TVYFDCVFWFDOMI-MYKUNDNFSA-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 = 50097753   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50097753 (CHEMBL349451 | N-{(R)-[(4-Aminomethyl-cyclohexylme...) Show SMILES NCC1CCC(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)C2CCCCC2)CC1 |wD:10.10,(14.05,-2.01,;12.63,-2.64,;11.42,-1.71,;10.02,-1.31,;8.08,-2.13,;7.12,-.64,;5.79,-1.43,;4.44,-.68,;3.13,-1.45,;3.13,-2.99,;1.8,-.71,;.45,-1.48,;-.88,-.71,;-.88,.83,;-2.21,-1.48,;-3.54,-.71,;-4.87,-1.5,;-4.87,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-3.54,-5.35,;-4.87,-6.12,;-2.21,-6.12,;1.78,.83,;.47,1.6,;.47,3.14,;1.8,3.91,;3.13,3.14,;3.13,1.6,;8.59,-1.03,;10.44,-.22,)| Show InChI InChI=1S/C24H37N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h4,7-8,13,16-18,21H,1-3,5-6,9-12,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30)/t16?,17?,21-/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	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human coagulation factor Xa				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50097753 (CHEMBL349451 | N-{(R)-[(4-Aminomethyl-cyclohexylme...) Show SMILES NCC1CCC(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)C2CCCCC2)CC1 |wD:10.10,(14.05,-2.01,;12.63,-2.64,;11.42,-1.71,;10.02,-1.31,;8.08,-2.13,;7.12,-.64,;5.79,-1.43,;4.44,-.68,;3.13,-1.45,;3.13,-2.99,;1.8,-.71,;.45,-1.48,;-.88,-.71,;-.88,.83,;-2.21,-1.48,;-3.54,-.71,;-4.87,-1.5,;-4.87,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-3.54,-5.35,;-4.87,-6.12,;-2.21,-6.12,;1.78,.83,;.47,1.6,;.47,3.14,;1.8,3.91,;3.13,3.14,;3.13,1.6,;8.59,-1.03,;10.44,-.22,)| Show InChI InChI=1S/C24H37N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h4,7-8,13,16-18,21H,1-3,5-6,9-12,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30)/t16?,17?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human trypsin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair