Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'counsell' and Initial = 're'   

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
Aromatase (Homo sapiens (Human))	BDBM50010070 (CHEMBL3245357) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(N)cc1 |r,t:18| Show InChI InChI=1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010069 (CHEMBL3245356) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccc(OC)cc1 |r,t:18| Show InChI InChI=1S/C27H34O3S/c1-26-12-10-19(28)14-18(26)15-23(31-16-17-4-6-20(30-3)7-5-17)25-21-8-9-24(29)27(21,2)13-11-22(25)26/h4-7,14,21-23,25H,8-13,15-16H2,1-3H3/t21-,22-,23+,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010067 (CHEMBL3245348) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCCC |r,t:18| Show InChI InChI=1S/C23H34O2S/c1-4-5-12-26-19-14-15-13-16(24)8-10-22(15,2)18-9-11-23(3)17(21(18)19)6-7-20(23)25/h13,17-19,21H,4-12,14H2,1-3H3/t17-,18-,19+,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010068 (CHEMBL3245353) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCc1ccccc1 |r,t:18| Show InChI InChI=1S/C27H34O2S/c1-26-13-10-20(28)16-19(26)17-23(30-15-12-18-6-4-3-5-7-18)25-21-8-9-24(29)27(21,2)14-11-22(25)26/h3-7,16,21-23,25H,8-15,17H2,1-2H3/t21-,22-,23+,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50010071 (CHEMBL3245350) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccccc1 |r,t:18| Show InChI InChI=1S/C26H32O2S/c1-25-12-10-19(27)14-18(25)15-22(29-16-17-6-4-3-5-7-17)24-20-8-9-23(28)26(20,2)13-11-21(24)25/h3-7,14,20-22,24H,8-13,15-16H2,1-2H3/t20-,21-,22+,24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...				J Med Chem 21: 1007-11 (1979) BindingDB Entry DOI: 10.7270/Q2ZK5J6C
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Bos taurus)	BDBM50028166 (CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...) Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1 Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylation				J Med Chem 20: 762-6 (1977) BindingDB Entry DOI: 10.7270/Q2639R92
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50021809 ((2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imida...) Show SMILES Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM34572 (BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...) Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4| Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50021812 (2,6-Dichloro-N-imidazolidin-2-ylidene-benzene-1,4-...) Show SMILES [#7]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1 Show InChI InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50225285 (CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...) Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10| Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50226861 (CHEMBL22073) Show SMILES Clc1cc(cc(Cl)c1NC1=NCCN1)N=NN1CCCC1 |t:10| Show InChI InChI=1S/C13H16Cl2N6/c14-10-7-9(19-20-21-5-1-2-6-21)8-11(15)12(10)18-13-16-3-4-17-13/h7-8H,1-6H2,(H2,16,17,18)/b20-19+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50226860 (CHEMBL21734) Show SMILES [#8-]-[#7+](=O)-c1cc(Cl)c(\[#7]=[#6]-2/[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1 Show InChI InChI=1S/C9H8Cl2N4O2/c10-6-3-5(15(16)17)4-7(11)8(6)14-9-12-1-2-13-9/h3-4H,1-2H2,(H2,12,13,14)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes				J Med Chem 30: 1241-4 (1987) BindingDB Entry DOI: 10.7270/Q2JM2CWR
					More data for this Ligand-Target Pair