BDBM50172728 CHEMBL3809472

SMILES: Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12

InChI Key: InChIKey=AHEIEXXGHCSZMY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50172728   

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
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of purified human tissue kallikrein 1 using H-D-Val-Leu-Arg-AFC as substrate				J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP
					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant human Tissue factor/factor 7a using S2288 as substrate after 30 to 60 mins				J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of purified human factor 10a using S2765 as substrate after 30 to 60 mins				J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of purified human trypsin after 30 to 60 mins				J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of purified human factor 11a after 30 to 60 mins				J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of purified human thrombin after 30 to 60 mins				J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP
					More data for this Ligand-Target Pair