Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50005653   

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
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417346 (CHEMBL1276220) Show SMILES C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14| Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50473154 (CHEMBL14107) Show SMILES C=CCc1ccccc1OCC1=NCCN1 |t:12| Show InChI InChI=1S/C13H16N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7H,1,5,8-10H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417343 (CHEMBL1276140) Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417344 (CHEMBL1276218) Show SMILES CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417345 (CHEMBL1276219) Show SMILES C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14| Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50493433 (CHEMBL2431282) Show SMILES CCCc1ccccc1OC(C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H20N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417342 (CHEMBL1276139) Show SMILES C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50420342 (CHEMBL2089156) Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419874 (CHEMBL1956192) Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11| Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50493432 (CHEMBL2431279) Show SMILES Brc1ccccc1OCC1=NCCN1 |t:10| Show InChI InChI=1S/C10H11BrN2O/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50473179 (CHEMBL13917) Show SMILES CCCc1ccccc1OCC1=NCCN1 |t:12| Show InChI InChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50027060 (2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...) Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13| Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50493430 (CHEMBL2431281) Show SMILES C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C14H18N2O/c1-2-4-13(12(3-1)9-11-5-6-11)17-10-14-15-7-8-16-14/h1-4,11H,5-10H2,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419880 (CHEMBL1956197) Show SMILES CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C14H18N2O2/c1-10(14-15-8-9-16-14)17-12-4-2-3-5-13(12)18-11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50493431 (CHEMBL2431280) Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14| Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50086502 (2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...) Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2| Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity at human alpha2C AR				ACS Med Chem Lett 4: 875-9 (2013) Article DOI: 10.1021/ml400232p BindingDB Entry DOI: 10.7270/Q2H134ZZ
					More data for this Ligand-Target Pair