BDBM50097764 CHEMBL162803::N-{(S)-1-[(4-Aminomethyl-cyclohexylmethyl)-carbamoyl]-3-methylsulfanyl-propyl}-3-carbamimidoyl-benzamide

SMILES: CSCC[C@H](NC(=O)c1cccc(c1)C(N)=N)C(=O)NCC1CCC(CN)CC1

InChI Key: InChIKey=ZCFOBVPPKXVRJZ-JMLCCBQJSA-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 = 50097764   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50097764 (CHEMBL162803 | N-{(S)-1-[(4-Aminomethyl-cyclohexyl...) Show SMILES CSCC[C@H](NC(=O)c1cccc(c1)C(N)=N)C(=O)NCC1CCC(CN)CC1 |wU:4.4,(3.81,5.29,;2.48,4.52,;2.48,2.98,;1.15,2.21,;1.15,.67,;-.18,-.1,;-1.51,.65,;-1.53,2.19,;-2.84,-.12,;-4.19,.65,;-5.52,-.12,;-5.52,-1.66,;-4.19,-2.43,;-2.84,-1.66,;-4.19,-3.97,;-5.52,-4.74,;-2.84,-4.74,;2.48,-.1,;2.5,-1.64,;3.81,.67,;5.16,-.08,;6.47,.72,;7.96,.32,;9.81,1.16,;10.76,-.36,;12,-1.27,;13.42,-.66,;9.39,.04,;7.45,-.78,)| Show InChI InChI=1S/C21H33N5O2S/c1-29-10-9-18(21(28)25-13-15-7-5-14(12-22)6-8-15)26-20(27)17-4-2-3-16(11-17)19(23)24/h2-4,11,14-15,18H,5-10,12-13,22H2,1H3,(H3,23,24)(H,25,28)(H,26,27)/t14?,15?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90E+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
Coagulation factor X (Homo sapiens (Human))	BDBM50097764 (CHEMBL162803 | N-{(S)-1-[(4-Aminomethyl-cyclohexyl...) Show SMILES CSCC[C@H](NC(=O)c1cccc(c1)C(N)=N)C(=O)NCC1CCC(CN)CC1 |wU:4.4,(3.81,5.29,;2.48,4.52,;2.48,2.98,;1.15,2.21,;1.15,.67,;-.18,-.1,;-1.51,.65,;-1.53,2.19,;-2.84,-.12,;-4.19,.65,;-5.52,-.12,;-5.52,-1.66,;-4.19,-2.43,;-2.84,-1.66,;-4.19,-3.97,;-5.52,-4.74,;-2.84,-4.74,;2.48,-.1,;2.5,-1.64,;3.81,.67,;5.16,-.08,;6.47,.72,;7.96,.32,;9.81,1.16,;10.76,-.36,;12,-1.27,;13.42,-.66,;9.39,.04,;7.45,-.78,)| Show InChI InChI=1S/C21H33N5O2S/c1-29-10-9-18(21(28)25-13-15-7-5-14(12-22)6-8-15)26-20(27)17-4-2-3-16(11-17)19(23)24/h2-4,11,14-15,18H,5-10,12-13,22H2,1H3,(H3,23,24)(H,25,28)(H,26,27)/t14?,15?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+4	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