Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'bologa' and Initial = 'cg'   

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
Estrogen receptor (Mus musculus)	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Mus musculus)	BDBM50303804 ((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...) Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity to ERbeta receptor in mouse COS7 cells by competitive binding assay				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair				3D Structure (crystal)
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50324674 (1-((3aS,4S,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303804 ((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...) Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22| Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of calcium mobilization				Nat Chem Biol 5: 421-7 (2009) Article DOI: 10.1038/nchembio.168 BindingDB Entry DOI: 10.7270/Q2RB74TZ
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM50303803 (1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...) Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11| Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
University of New Mexico Health Sciences Center Curated by ChEMBL					Assay Description Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry				Nat Chem Biol 2: 207-12 (2006) Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2
					More data for this Ligand-Target Pair