BDBM50447516 CHEMBL3115900

SMILES: NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1

InChI Key: InChIKey=DEEHPLDVAKJVIC-RPWUZVMVSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50447516   

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))	BDBM50447516 (CHEMBL3115900) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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
Coagulation factor XI (Homo sapiens (Human))	BDBM50447516 (CHEMBL3115900) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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 coagulation factor 11a 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
Coagulation factor X (Homo sapiens (Human))	BDBM50447516 (CHEMBL3115900) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	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 coagulation factor 10a using S-2765 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
Coagulation factor X (Homo sapiens (Human))	BDBM50447516 (CHEMBL3115900) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 10a using S-2765 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mi...				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))	BDBM50447516 (CHEMBL3115900) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/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	260	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
Coagulation factor XI (Homo sapiens (Human))	BDBM50447516 (CHEMBL3115900) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mi...				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