BDBM222349 CYP144A1 ligand, 4

SMILES: Brc1ccc(cc1)-c1c[nH]cn1

InChI Key: InChIKey=YLIOAWKNPLJMID-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 3 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 1 hit for monomerid = 222349   

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 144 (CYP144A1-TRV) (Mycobacterium tuberculosis)	BDBM222349 (CYP144A1 ligand, 4) Show SMILES Brc1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.30E+5	n/a	n/a	n/a	7.0	n/a
University of Cambridge					Assay Description Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair