Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 270.7 BDBM47421Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20863Q9
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PV6HS7
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 19 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2K35S27
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 4 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2F76B0G
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2251GM6
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TM78JD
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 16 (Homo sapiens (Human))	BDBM47421 (MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5| Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FB51BW
					More data for this Ligand-Target Pair