Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'zoufir' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM222346 (CYP144A1 ligand, 1) Show SMILES Oc1ccc(cc1)-c1n[nH]c(NCc2cccc3[nH]ncc23)c1-c1ccc(O)cc1 Show InChI InChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20E+4	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
Cytochrome P450 144 [31-434] (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/SwissProt 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
Cytochrome P450 144 [31-434] (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/SwissProt 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
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM24656 (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.98E+6	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
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM7886 (1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...) Show SMILES c1cn(cn1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.90E+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
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM222348 (CYP144A1 ligand, 3) Show SMILES Nc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	7.5	25
University of Cambridge					Assay Description ITC binding isotherms were recorded on a MicroCal ITC200 instrument (MalvernInstruments). Titrations were conducted at 25 °C by injecting aliquots (2...				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