BDBM50088656 CHEMBL10657::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-ethyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide

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

InChI Key: InChIKey=MPSXJCHOZVGVGI-CYBMUJFWSA-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 = 50088656   

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))	BDBM50088656 (CHEMBL10657 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES CC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O Show InChI InChI=1S/C20H25N5O3/c1-4-13-8-15-7-11(2)25(20(28)18(15)24-19(13)27)10-17(26)22-9-14-5-6-16(21)23-12(14)3/h5-7,13H,4,8-10H2,1-3H3,(H2,21,23)(H,22,26)(H,24,27)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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))	BDBM50088656 (CHEMBL10657 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) Show SMILES CC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O Show InChI InChI=1S/C20H25N5O3/c1-4-13-8-15-7-11(2)25(20(28)18(15)24-19(13)27)10-17(26)22-9-14-5-6-16(21)23-12(14)3/h5-7,13H,4,8-10H2,1-3H3,(H2,21,23)(H,22,26)(H,24,27)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	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