BDBM50097763 CHEMBL159833::N-{[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-biphenyl-4-yl-methyl}-3-carbamimidoyl-benzamide

SMILES: NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccc(cc2)-c2ccccc2)CC1

InChI Key: InChIKey=IYWXIPDHUOCHLM-UHFFFAOYSA-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 = 50097763   

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))	BDBM50097763 (CHEMBL159833 | N-{[(4-Aminomethyl-cyclohexylmethyl...) Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccc(cc2)-c2ccccc2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;9.67,-5.07,;7.73,-5.89,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;2.78,-2.13,;2.78,-.61,;1.43,.16,;.1,-.61,;.1,-2.15,;1.43,1.7,;.1,2.47,;.09,4.01,;1.42,4.78,;2.76,4.01,;2.76,2.47,;8.24,-4.79,;10.09,-3.97,)| Show InChI InChI=1S/C30H35N5O2/c31-18-20-9-11-21(12-10-20)19-34-30(37)27(35-29(36)26-8-4-7-25(17-26)28(32)33)24-15-13-23(14-16-24)22-5-2-1-3-6-22/h1-8,13-17,20-21,27H,9-12,18-19,31H2,(H3,32,33)(H,34,37)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	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))	BDBM50097763 (CHEMBL159833 | N-{[(4-Aminomethyl-cyclohexylmethyl...) Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccc(cc2)-c2ccccc2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;9.67,-5.07,;7.73,-5.89,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;2.78,-2.13,;2.78,-.61,;1.43,.16,;.1,-.61,;.1,-2.15,;1.43,1.7,;.1,2.47,;.09,4.01,;1.42,4.78,;2.76,4.01,;2.76,2.47,;8.24,-4.79,;10.09,-3.97,)| Show InChI InChI=1S/C30H35N5O2/c31-18-20-9-11-21(12-10-20)19-34-30(37)27(35-29(36)26-8-4-7-25(17-26)28(32)33)24-15-13-23(14-16-24)22-5-2-1-3-6-22/h1-8,13-17,20-21,27H,9-12,18-19,31H2,(H3,32,33)(H,34,37)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+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