BDBM322412 US10183937, Example 223::US10202369, Example 223::US10472354, Example 222

SMILES: C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key: InChIKey=ALJCLRFXPKVCLC-KLOIUYPJSA-N

Data: 6 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 6 hits for monomerid = 322412   

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 3 (Homo sapiens (Human))	BDBM322412 (US10183937, Example 223 | US10202369, Example 223 ...) Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...				US Patent US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM322412 (US10183937, Example 223 | US10202369, Example 223 ...) Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...				US Patent US10183937 (2019) BindingDB Entry DOI: 10.7270/Q2028TNS
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM322412 (US10183937, Example 223 | US10202369, Example 223 ...) Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...				US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197
					More data for this Ligand-Target Pair
P2X2/3 (Homo sapiens (Human))	BDBM322412 (US10183937, Example 223 | US10202369, Example 223 ...) Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...				US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM322412 (US10183937, Example 223 | US10202369, Example 223 ...) Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...				US Patent US10472354 (2019) BindingDB Entry DOI: 10.7270/Q2KD2197
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM322412 (US10183937, Example 223 | US10202369, Example 223 ...) Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F6N5O2S/c1-13-10-32-22(39-13)16-6-15(21(37)35-14(2)17-11-33-23(34-12-17)25(29,30)31)7-19(8-16)38-18-4-5-36(3)20(9-18)24(26,27)28/h6-8,10-12,14,18,20H,4-5,9H2,1-3H3,(H,35,37)/t14-,18?,20?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Aktiengesellschaft US Patent					Assay Description A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...				US Patent US10202369 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T2P
					More data for this Ligand-Target Pair