Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 575.5 BDBM610445

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))	BDBM610445 (2-(3-Cyclopropyl-pyrazol-1-yl)-1-{(R)-2-(2-hydroxy...) Show SMILES OCC[C@@H]1CN(CCN1C(=O)Cn1ccc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46X2G
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610445 (2-(3-Cyclopropyl-pyrazol-1-yl)-1-{(R)-2-(2-hydroxy...) Show SMILES OCC[C@@H]1CN(CCN1C(=O)Cn1ccc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	30.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46X2G
					More data for this Ligand-Target Pair