BDBM398195 (S)-4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-indole-3-carboxamide::US10323000, Compound 132::US10676433, Compound 135

SMILES: FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1

InChI Key: InChIKey=PSPCMSHPSBYOPA-OAHLLOKOSA-N

Data: 4 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 = 398195   

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))	BDBM398195 ((S)-4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1 |r| Show InChI InChI=1S/C21H25ClF2N2O2/c22-17-4-1-5-18-19(17)16(13-26(18)12-15-3-2-10-28-15)20(27)25-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15H,2-3,6-12H2,(H,25,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
hIL-1beta (Homo sapiens (Human))	BDBM398195 ((S)-4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1 |r| Show InChI InChI=1S/C21H25ClF2N2O2/c22-17-4-1-5-18-19(17)16(13-26(18)12-15-3-2-10-28-15)20(27)25-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15H,2-3,6-12H2,(H,25,27)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398195 ((S)-4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1 |r| Show InChI InChI=1S/C21H25ClF2N2O2/c22-17-4-1-5-18-19(17)16(13-26(18)12-15-3-2-10-28-15)20(27)25-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15H,2-3,6-12H2,(H,25,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				US Patent US10676433 (2020)
					More data for this Ligand-Target Pair
hIL-1beta (Homo sapiens (Human))	BDBM398195 ((S)-4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(C[C@H]3CCCO3)c3cccc(Cl)c23)CC1 |r| Show InChI InChI=1S/C21H25ClF2N2O2/c22-17-4-1-5-18-19(17)16(13-26(18)12-15-3-2-10-28-15)20(27)25-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15H,2-3,6-12H2,(H,25,27)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair