BDBM36498 DADMe-ImmA-p-ClPh

SMILES: Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12

InChI Key: InChIKey=MZZBHZOHYGEGEE-UHFFFAOYSA-N

Data: 7 Kd

PDB links: 5 PDB IDs match this monomer.

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 7 hits for monomerid = 36498   

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
Methylthioadenosine Nucleosidase (MTAN) (Neisseria meningitidis)	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0210	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN) (Helicobacter pylori)	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.570	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylthioadenosine Nucleosidase (MTAN) (Klebsiella pneumoniae)	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylthioadenosine Phosphorylase (MTAP) (Homo sapiens (Human))	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylthioadenosine Nucleosidase(MTAN) (Escherichia coli (strain K12))	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.0000470	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylthioadenosine Nucleosidase (MTAN) (Streptococcus pneumoniae)	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	0.360	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair
Methylthioadenosine Nucleosidase (MTAN) (Staphylococcus aureus)	BDBM36498 (DADMe-ImmA-p-ClPh) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 Show InChI InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	7.5	25
Albert Einstein College of Medicine					Assay Description Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.				ACS Chem Biol 2: 725-34 (2007) Article DOI: 10.1021/cb700166z BindingDB Entry DOI: 10.7270/Q2QF8R7W
					More data for this Ligand-Target Pair