Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 575.6 BDBM208775

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

Found 3 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))	BDBM208775 (US9266876, 242) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(OC3CNC3)cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H28F3N9O2S/c1-13-11-35(6-7-36(13)20(38)12-37-15(3)30-14(2)34-37)23-21(33-24(40-23)25(26,27)28)22-31-18-5-4-16(8-19(18)32-22)39-17-9-29-10-17/h4-5,8,13,17,29H,6-7,9-12H2,1-3H3,(H,31,32)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00676 BindingDB Entry DOI: 10.7270/Q2222ZSK
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15 (Homo sapiens (Human))	BDBM208775 (US9266876, 242) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(OC3CNC3)cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H28F3N9O2S/c1-13-11-35(6-7-36(13)20(38)12-37-15(3)30-14(2)34-37)23-21(33-24(40-23)25(26,27)28)22-31-18-5-4-16(8-19(18)32-22)39-17-9-29-10-17/h4-5,8,13,17,29H,6-7,9-12H2,1-3H3,(H,31,32)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	37
Actelion Pharmaceuticals Ltd. US Patent					Assay Description The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...				US Patent US9266876 (2016) BindingDB Entry DOI: 10.7270/Q2DB80NB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM208775 (US9266876, 242) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(OC3CNC3)cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H28F3N9O2S/c1-13-11-35(6-7-36(13)20(38)12-37-15(3)30-14(2)34-37)23-21(33-24(40-23)25(26,27)28)22-31-18-5-4-16(8-19(18)32-22)39-17-9-29-10-17/h4-5,8,13,17,29H,6-7,9-12H2,1-3H3,(H,31,32)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00676 BindingDB Entry DOI: 10.7270/Q2222ZSK
					More data for this Ligand-Target Pair