Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.4 BDBM50595449

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50595449 (CHEMBL5197253) Show SMILES O=C(Cn1cnc2cccnc12)N1CCN(CC1)c1cccnc1-c1nc2ccccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00675 BindingDB Entry DOI: 10.7270/Q29K4G85
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50595449 (CHEMBL5197253) Show SMILES O=C(Cn1cnc2cccnc12)N1CCN(CC1)c1cccnc1-c1nc2ccccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	785	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00675 BindingDB Entry DOI: 10.7270/Q29K4G85
					More data for this Ligand-Target Pair