BDBM50251202 CHEMBL3936866

SMILES: [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1

InChI Key: InChIKey=VYDQRUVOXRXKGT-VIFPVBQESA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50251202   

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 (Rattus norvegicus (Rat))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization after 30 mins by c...				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization after 30 mins by...				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide or diclofenac as substrates				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone, midozolam or nifedipine as substrates				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50251202 (CHEMBL3936866) Show SMILES [H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C18H15F4N7O/c1-9-5-14-13(26-27-29(14)17-24-6-11(19)7-25-17)8-28(9)16(30)12-3-4-23-15(10(12)2)18(20,21)22/h3-4,6-7,9H,5,8H2,1-2H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate				J Med Chem 61: 207-223 (2018) Article DOI: 10.1021/acs.jmedchem.7b01279 BindingDB Entry DOI: 10.7270/Q26T0Q2B
					More data for this Ligand-Target Pair