BDBM183138 US9150546, I-291::US9688643, I-291::US9718790, I-0291

SMILES: CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F

InChI Key: InChIKey=MUAVUCGFIWKKLX-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 183138   

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))	BDBM183138 (US9150546, I-291 | US9688643, I-291 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H21ClFN5O3/c1-14(2)32-19-9-8-17(12-18(19)24)26-20-27-21(30)28(11-3-10-25)22(31)29(20)13-15-4-6-16(23)7-5-15/h4-9,12,14H,3,11,13H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	37
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683)) was used. The cells were seeded...				US Patent US9150546 (2015) BindingDB Entry DOI: 10.7270/Q2416VV1
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183138 (US9150546, I-291 | US9688643, I-291 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H21ClFN5O3/c1-14(2)32-19-9-8-17(12-18(19)24)26-20-27-21(30)28(11-3-10-25)22(31)29(20)13-15-4-6-16(23)7-5-15/h4-9,12,14H,3,11,13H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183138 (US9150546, I-291 | US9688643, I-291 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H21ClFN5O3/c1-14(2)32-19-9-8-17(12-18(19)24)26-20-27-21(30)28(11-3-10-25)22(31)29(20)13-15-4-6-16(23)7-5-15/h4-9,12,14H,3,11,13H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM183138 (US9150546, I-291 | US9688643, I-291 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H21ClFN5O3/c1-14(2)32-19-9-8-17(12-18(19)24)26-20-27-21(30)28(11-3-10-25)22(31)29(20)13-15-4-6-16(23)7-5-15/h4-9,12,14H,3,11,13H2,1-2H3,(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683)) was used. The cells were seeded...				US Patent US9688643 (2017) BindingDB Entry DOI: 10.7270/Q2M32SZ2
					More data for this Ligand-Target Pair