BDBM50447521 CHEMBL3115899

SMILES: NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1

InChI Key: InChIKey=LODHLSDCVURQKQ-IZLXSDGUSA-N

Data: 1 KI  1 IC50

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 = 50447521   

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
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50447521 (CHEMBL3115899) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C32H39N5O4/c33-30(34)25-14-10-22(11-15-25)19-36-31(40)28(18-23-12-13-24-8-4-5-9-26(24)16-23)37-32(41)27(35-20-29(38)39)17-21-6-2-1-3-7-21/h4-5,8-16,21,27-28,35H,1-3,6-7,17-20H2,(H3,33,34)(H,36,40)(H,37,41)(H,38,39)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive inhibition of human APC using S-2366 as substrate				Bioorg Med Chem Lett 24: 821-7 (2014) Article DOI: 10.1016/j.bmcl.2013.12.094 BindingDB Entry DOI: 10.7270/Q2542Q3B
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50447521 (CHEMBL3115899) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C32H39N5O4/c33-30(34)25-14-10-22(11-15-25)19-36-31(40)28(18-23-12-13-24-8-4-5-9-26(24)16-23)37-32(41)27(35-20-29(38)39)17-21-6-2-1-3-7-21/h4-5,8-16,21,27-28,35H,1-3,6-7,17-20H2,(H3,33,34)(H,36,40)(H,37,41)(H,38,39)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...				Bioorg Med Chem Lett 24: 821-7 (2014) Article DOI: 10.1016/j.bmcl.2013.12.094 BindingDB Entry DOI: 10.7270/Q2542Q3B
					More data for this Ligand-Target Pair