BDBM222347 CYP144A1 ligand, 2

SMILES: Oc1ccc(cc1)-c1n[nH]c(NCc2c[nH]cn2)c1-c1ccc(O)cc1

InChI Key: InChIKey=QNVXUJBXEJSMQO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 222347   

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)	BDBM222347 (CYP144A1 ligand, 2) Show SMILES Oc1ccc(cc1)-c1n[nH]c(NCc2c[nH]cn2)c1-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.00E+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