BDBM92569 Arylamine compound 2

SMILES: Nc1ccc(Sc2ccc(cc2)N2C(=O)c3ccc(N)cc3C2=O)cc1

InChI Key: InChIKey=FQQVTDIBUYSVHM-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 92569   

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
Cytochrome P450 130 (Mycobacterium tuberculosis)	BDBM92569 (Arylamine compound 2) Show SMILES Nc1ccc(Sc2ccc(cc2)N2C(=O)c3ccc(N)cc3C2=O)cc1 Show InChI InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Binding assay using CYP130, CYP130 (G234) or CYP142.				J Biol Chem 284: 25211-9 (2009) Article DOI: 10.1074/jbc.M109.017632 BindingDB Entry DOI: 10.7270/Q2RR1WVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid C26-monooxygenase (Mycobacterium tuberculosis)	BDBM92569 (Arylamine compound 2) Show SMILES Nc1ccc(Sc2ccc(cc2)N2C(=O)c3ccc(N)cc3C2=O)cc1 Show InChI InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Binding assay using CYP130, CYP130 (G234) or CYP142.				J Biol Chem 284: 25211-9 (2009) Article DOI: 10.1074/jbc.M109.017632 BindingDB Entry DOI: 10.7270/Q2RR1WVC
					More data for this Ligand-Target Pair
Cytochrome P450 130 (Mycobacterium tuberculosis)	BDBM92569 (Arylamine compound 2) Show SMILES Nc1ccc(Sc2ccc(cc2)N2C(=O)c3ccc(N)cc3C2=O)cc1 Show InChI InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Binding assay using CYP130, CYP130 (G234) or CYP142.				J Biol Chem 284: 25211-9 (2009) Article DOI: 10.1074/jbc.M109.017632 BindingDB Entry DOI: 10.7270/Q2RR1WVC
					More data for this Ligand-Target Pair				3D Structure (crystal)