null

SMILES: [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N

InChI Key: InChIKey=YSPNDOLGAADMRD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 42995   

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
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2FT8JGV
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 3 (Homo sapiens (Human))	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2707ZV7
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 2 (Homo sapiens (Human))	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QZ28CS
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM10 (Saccharomyces cerevisiae S288c)	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM42995 (2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-amino-4...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8| Show InChI InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair