BDBM50011245 CHEMBL3260340

SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](N3CCC(=CC3=O)c3cccc(Cl)c3F)c3ccnc-2c3)c1

InChI Key: InChIKey=DEZNHCICTWBFEH-MYUZEXMDSA-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 = 50011245   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50011245 (CHEMBL3260340) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](N3CCC(=CC3=O)c3cccc(Cl)c3F)c3ccnc-2c3)c1 |r,c:22| Show InChI InChI=1S/C31H30ClFN4O4/c1-18-5-3-8-27(37-14-12-19(16-28(37)38)22-6-4-7-24(32)29(22)33)20-11-13-34-25(15-20)23-10-9-21(35-31(40)41-2)17-26(23)36-30(18)39/h4,6-7,9-11,13,15-18,27H,3,5,8,12,14H2,1-2H3,(H,35,40)(H,36,39)/t18-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using S-2302 as substrate at 25 degC after 20 to 180 mins				ACS Med Chem Lett 5: 286-7 (2014) Article DOI: 10.1021/ml500084u BindingDB Entry DOI: 10.7270/Q2J67JFR
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50011245 (CHEMBL3260340) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](N3CCC(=CC3=O)c3cccc(Cl)c3F)c3ccnc-2c3)c1 |r,c:22| Show InChI InChI=1S/C31H30ClFN4O4/c1-18-5-3-8-27(37-14-12-19(16-28(37)38)22-6-4-7-24(32)29(22)33)20-11-13-34-25(15-20)23-10-9-21(35-31(40)41-2)17-26(23)36-30(18)39/h4,6-7,9-11,13,15-18,27H,3,5,8,12,14H2,1-2H3,(H,35,40)(H,36,39)/t18-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a after 20 to 180 mins				ACS Med Chem Lett 5: 286-7 (2014) Article DOI: 10.1021/ml500084u BindingDB Entry DOI: 10.7270/Q2J67JFR
					More data for this Ligand-Target Pair