Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.5 BDBM208584

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

Found 8 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/Guanine nucleotide-binding protein subunit alpha-15 (Homo sapiens (Human))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	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))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	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 (Homo sapiens (Human))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	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))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM208584 (US9266876, 51) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+3	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