BDBM50088658 CHEMBL10800::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide

SMILES: CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O

InChI Key: InChIKey=HUWWMXFLXRQHOX-CQSZACIVSA-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 = 50088658   

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
Prothrombin (Homo sapiens (Human))	BDBM50088658 (CHEMBL10800 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O Show InChI InChI=1S/C21H27N5O3/c1-4-5-14-9-16-8-12(2)26(21(29)19(16)25-20(14)28)11-18(27)23-10-15-6-7-17(22)24-13(15)3/h6-8,14H,4-5,9-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,28)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for its ability to inhibit thrombin.				Bioorg Med Chem Lett 10: 1069-72 (2000) BindingDB Entry DOI: 10.7270/Q2DZ07J2
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50088658 (CHEMBL10800 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O Show InChI InChI=1S/C21H27N5O3/c1-4-5-14-9-16-8-12(2)26(21(29)19(16)25-20(14)28)11-18(27)23-10-15-6-7-17(22)24-13(15)3/h6-8,14H,4-5,9-11H2,1-3H3,(H2,22,24)(H,23,27)(H,25,28)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for its ability to inhibit trypsin.				Bioorg Med Chem Lett 10: 1069-72 (2000) BindingDB Entry DOI: 10.7270/Q2DZ07J2
					More data for this Ligand-Target Pair