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SMILES: COc1ccnc(c1)-c1nnc2-c3nnc(-c4cccc(c4Cl)C(F)(F)F)n3[C@@H](C)Cn12

InChI Key: InChIKey=FHDLATMFIVUBPT-JTQLQIEISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 246956   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM246956 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(4-m...) Show SMILES COc1ccnc(c1)-c1nnc2-c3nnc(-c4cccc(c4Cl)C(F)(F)F)n3[C@@H](C)Cn12 |r| Show InChI InChI=1S/C20H15ClF3N7O/c1-10-9-30-17(14-8-11(32-2)6-7-25-14)27-28-18(30)19-29-26-16(31(10)19)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,10H,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM246956 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(4-m...) Show SMILES COc1ccnc(c1)-c1nnc2-c3nnc(-c4cccc(c4Cl)C(F)(F)F)n3[C@@H](C)Cn12 |r| Show InChI InChI=1S/C20H15ClF3N7O/c1-10-9-30-17(14-8-11(32-2)6-7-25-14)27-28-18(30)19-29-26-16(31(10)19)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,10H,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM246956 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(4-m...) Show SMILES COc1ccnc(c1)-c1nnc2-c3nnc(-c4cccc(c4Cl)C(F)(F)F)n3[C@@H](C)Cn12 |r| Show InChI InChI=1S/C20H15ClF3N7O/c1-10-9-30-17(14-8-11(32-2)6-7-25-14)27-28-18(30)19-29-26-16(31(10)19)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,10H,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM246956 ((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(4-m...) Show SMILES COc1ccnc(c1)-c1nnc2-c3nnc(-c4cccc(c4Cl)C(F)(F)F)n3[C@@H](C)Cn12 |r| Show InChI InChI=1S/C20H15ClF3N7O/c1-10-9-30-17(14-8-11(32-2)6-7-25-14)27-28-18(30)19-29-26-16(31(10)19)12-4-3-5-13(15(12)21)20(22,23)24/h3-8,10H,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10053463 (2018) BindingDB Entry DOI: 10.7270/Q2FT8P24
					More data for this Ligand-Target Pair