BDBM50032867 CHEMBL3355689

SMILES: NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1c[nH]c(n1)-c1ccccc1

InChI Key:

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 = 50032867   

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 XI (Homo sapiens (Human))	BDBM50032867 (CHEMBL3355689) Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1c[nH]c(n1)-c1ccccc1 |r,wU:5.8,wD:11.11,2.1,(30.81,-41.17,;29.49,-41.94,;28.15,-41.17,;28.15,-39.63,;26.82,-38.86,;25.48,-39.63,;25.48,-41.17,;26.82,-41.94,;24.15,-38.86,;24.15,-37.32,;22.81,-39.63,;21.48,-38.86,;21.48,-37.32,;20.14,-36.55,;18.82,-37.32,;17.48,-36.55,;17.48,-35.01,;18.82,-34.24,;20.14,-35.01,;20.19,-39.7,;20.11,-41.24,;18.62,-41.63,;17.78,-40.34,;18.76,-39.14,;16.25,-40.26,;15.4,-41.55,;13.87,-41.47,;13.17,-40.1,;14.01,-38.81,;15.54,-38.89,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically				J Med Chem 57: 9915-32 (2014) Article DOI: 10.1021/jm5010607 BindingDB Entry DOI: 10.7270/Q2RV0Q9S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50032867 (CHEMBL3355689) Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1c[nH]c(n1)-c1ccccc1 |r,wU:5.8,wD:11.11,2.1,(30.81,-41.17,;29.49,-41.94,;28.15,-41.17,;28.15,-39.63,;26.82,-38.86,;25.48,-39.63,;25.48,-41.17,;26.82,-41.94,;24.15,-38.86,;24.15,-37.32,;22.81,-39.63,;21.48,-38.86,;21.48,-37.32,;20.14,-36.55,;18.82,-37.32,;17.48,-36.55,;17.48,-35.01,;18.82,-34.24,;20.14,-35.01,;20.19,-39.7,;20.11,-41.24,;18.62,-41.63,;17.78,-40.34,;18.76,-39.14,;16.25,-40.26,;15.4,-41.55,;13.87,-41.47,;13.17,-40.1,;14.01,-38.81,;15.54,-38.89,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate				J Med Chem 57: 9915-32 (2014) Article DOI: 10.1021/jm5010607 BindingDB Entry DOI: 10.7270/Q2RV0Q9S
					More data for this Ligand-Target Pair