Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'weaver' and Initial = 'dr'   

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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM50043289 (CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM82509 (Melatonin,6-Hydroxy | melatonin, 6-Hydroxy) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM82509 (Melatonin,6-Hydroxy | melatonin, 6-Hydroxy) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM82271 (CAS_260803 | NAS | NSC_260803) Show SMILES CC(=O)n1cc(CCN)c2cc(O)ccc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM82271 (CAS_260803 | NAS | NSC_260803) Show SMILES CC(=O)n1cc(CCN)c2cc(O)ccc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM82271 (CAS_260803 | NAS | NSC_260803) Show SMILES CC(=O)n1cc(CCN)c2cc(O)ccc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	595	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM82271 (CAS_260803 | NAS | NSC_260803) Show SMILES CC(=O)n1cc(CCN)c2cc(O)ccc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	986	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (RAT)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (RAT)	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (RAT)	BDBM50118989 ((2-Chloro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;12.83,-2.2,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15ClO3/c26-21-11-4-3-9-19(21)24(28)25-23(20-13-12-16(27)14-22(20)29-25)18-10-5-7-15-6-1-2-8-17(15)18/h1-14,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	BDBM50118989 ((2-Chloro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;12.83,-2.2,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15ClO3/c26-21-11-4-3-9-19(21)24(28)25-23(20-13-12-16(27)14-22(20)29-25)18-10-5-7-15-6-1-2-8-17(15)18/h1-14,27H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118987 ((2,4-Dimethyl-phenyl)-(6-hydroxy-3-naphthalen-1-yl...) Show SMILES Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2cccc3ccccc23)c(C)c1 |(14.19,-11.62,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;11.88,-7.63,;11.11,-6.3,;11.88,-4.96,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;4.53,-7.08,;3.18,-7.85,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,;13.4,-7.62,;14.17,-6.29,;14.17,-8.95,)| Show InChI InChI=1S/C27H20O3/c1-16-10-12-20(17(2)14-16)26(29)27-25(23-13-11-19(28)15-24(23)30-27)22-9-5-7-18-6-3-4-8-21(18)22/h3-15,28H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	BDBM50118993 ((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-(4-h...) Show SMILES Oc1ccc(cc1)C(=O)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 |(9.95,-10.72,;9.17,-9.38,;7.62,-9.38,;6.85,-8.05,;7.63,-6.72,;9.17,-6.71,;9.94,-8.03,;6.86,-5.39,;7.63,-4.05,;5.32,-5.39,;4.4,-6.62,;2.95,-6.16,;1.6,-6.93,;.27,-6.16,;-1.08,-6.93,;.27,-4.61,;1.6,-3.84,;2.95,-4.61,;4.4,-4.12,;4.89,-2.67,;6.39,-2.35,;6.87,-.87,;5.85,.27,;4.33,-.05,;3.3,1.07,;1.8,.74,;1.33,-.73,;2.36,-1.86,;3.86,-1.53,)| Show InChI InChI=1S/C25H16O4/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,26-27H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50119003 (Biphenyl-4-yl-(6-hydroxy-3-naphthalen-1-yl-benzofu...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(cc1)-c1ccccc1)-c1cccc2ccccc12 |(3.18,-7.85,;4.53,-7.08,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;11.11,-6.3,;11.88,-4.96,;11.88,-7.63,;13.4,-7.62,;14.17,-8.95,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;14.19,-11.62,;15.72,-11.61,;16.5,-12.94,;15.73,-14.28,;14.19,-14.28,;13.42,-12.95,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,)| Show InChI InChI=1S/C31H20O3/c32-24-17-18-27-28(19-24)34-31(29(27)26-12-6-10-22-9-4-5-11-25(22)26)30(33)23-15-13-21(14-16-23)20-7-2-1-3-8-20/h1-19,32H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	BDBM50118999 ((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-phen...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H16O3/c26-18-13-14-21-22(15-18)28-25(24(27)17-8-2-1-3-9-17)23(21)20-12-6-10-16-7-4-5-11-19(16)20/h1-15,26H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50119000 ((2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(6-hydroxy-3-n...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCOc2c1)-c1cccc2ccccc12 |(-3.42,-6.75,;-2.09,-5.98,;-2.09,-4.44,;-.76,-3.67,;.59,-4.44,;2.04,-3.95,;2.95,-5.21,;2.04,-6.45,;.59,-5.98,;-.76,-6.75,;4.49,-5.21,;5.26,-3.86,;5.26,-6.54,;4.49,-7.87,;5.26,-9.2,;6.8,-9.2,;7.57,-10.53,;9.11,-10.53,;9.88,-9.18,;9.11,-7.85,;7.57,-7.85,;6.8,-6.52,;2.53,-2.48,;4.02,-2.18,;4.51,-.71,;3.48,.44,;1.97,.11,;.94,1.23,;-.55,.91,;-1.02,-.57,;.01,-1.69,;1.5,-1.36,)| Show InChI InChI=1S/C27H18O5/c28-18-9-10-21-23(15-18)32-27(25(21)20-7-3-5-16-4-1-2-6-19(16)20)26(29)17-8-11-22-24(14-17)31-13-12-30-22/h1-11,14-15,28H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118999 ((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-phen...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H16O3/c26-18-13-14-21-22(15-18)28-25(24(27)17-8-2-1-3-9-17)23(21)20-12-6-10-16-7-4-5-11-19(16)20/h1-15,26H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118993 ((6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-(4-h...) Show SMILES Oc1ccc(cc1)C(=O)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 |(9.95,-10.72,;9.17,-9.38,;7.62,-9.38,;6.85,-8.05,;7.63,-6.72,;9.17,-6.71,;9.94,-8.03,;6.86,-5.39,;7.63,-4.05,;5.32,-5.39,;4.4,-6.62,;2.95,-6.16,;1.6,-6.93,;.27,-6.16,;-1.08,-6.93,;.27,-4.61,;1.6,-3.84,;2.95,-4.61,;4.4,-4.12,;4.89,-2.67,;6.39,-2.35,;6.87,-.87,;5.85,.27,;4.33,-.05,;3.3,1.07,;1.8,.74,;1.33,-.73,;2.36,-1.86,;3.86,-1.53,)| Show InChI InChI=1S/C25H16O4/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,26-27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50119006 ((3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-(6-hyd...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCCOc2c1)-c1cccc2ccccc12 |(-4.19,-6.1,;-2.85,-5.33,;-2.85,-3.79,;-1.52,-3.02,;-.18,-3.79,;1.28,-3.3,;2.19,-4.56,;1.28,-5.79,;-.18,-5.33,;-1.52,-6.1,;3.73,-4.56,;4.5,-3.2,;4.5,-5.89,;3.72,-7.22,;4.49,-8.55,;6.03,-8.55,;6.59,-9.97,;8.06,-10.41,;9.34,-9.54,;9.43,-8.01,;8.31,-6.96,;6.8,-7.19,;6.03,-5.86,;1.76,-1.83,;3.27,-1.52,;3.74,-.05,;2.71,1.09,;1.2,.76,;.17,1.88,;-1.32,1.56,;-1.79,.09,;-.76,-1.03,;.73,-.71,)| Show InChI InChI=1S/C28H20O5/c29-19-10-11-22-24(16-19)33-28(26(22)21-8-3-6-17-5-1-2-7-20(17)21)27(30)18-9-12-23-25(15-18)32-14-4-13-31-23/h1-3,5-12,15-16,29H,4,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding affinity for Estrogen receptor alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50119004 ((3-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(F)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15FO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118998 ((3-Bromo-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benz...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(Br)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15BrO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	BDBM50118987 ((2,4-Dimethyl-phenyl)-(6-hydroxy-3-naphthalen-1-yl...) Show SMILES Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2cccc3ccccc23)c(C)c1 |(14.19,-11.62,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;11.88,-7.63,;11.11,-6.3,;11.88,-4.96,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;4.53,-7.08,;3.18,-7.85,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,;13.4,-7.62,;14.17,-6.29,;14.17,-8.95,)| Show InChI InChI=1S/C27H20O3/c1-16-10-12-20(17(2)14-16)26(29)27-25(23-13-11-19(28)15-24(23)30-27)22-9-5-7-18-6-3-4-8-21(18)22/h3-15,28H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118997 ((4-Difluoromethoxy-phenyl)-(6-hydroxy-3-naphthalen...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OC(F)F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.07,-8.87,;12.84,-10.2,;10.53,-8.87,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C26H16F2O4/c27-26(28)31-18-11-8-16(9-12-18)24(30)25-23(21-13-10-17(29)14-22(21)32-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,26,29H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	BDBM50119002 ((4-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15FO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor beta (Rattus norvegicus)	BDBM50119004 ((3-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1cccc(F)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15FO3/c26-17-8-3-7-16(13-17)24(28)25-23(21-12-11-18(27)14-22(21)29-25)20-10-4-6-15-5-1-2-9-19(15)20/h1-14,27H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- beta (ER beta) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50119002 ((4-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-ben...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15FO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118990 ((4-Bromo-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benz...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccc(Br)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)| Show InChI InChI=1S/C25H15BrO3/c26-17-10-8-16(9-11-17)24(28)25-23(21-13-12-18(27)14-22(21)29-25)20-7-3-5-15-4-1-2-6-19(15)20/h1-14,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118992 ((2-Chloro-phenyl)-[6-hydroxy-3-(2-methoxy-benzyl)-...) Show SMILES COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H17ClO4/c1-27-20-9-5-2-6-14(20)12-18-16-11-10-15(25)13-21(16)28-23(18)22(26)17-7-3-4-8-19(17)24/h2-11,13,25H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50119001 ((2,4-Dimethyl-phenyl)-[6-hydroxy-3-(2-methoxy-benz...) Show SMILES COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccc(C)cc1C Show InChI InChI=1S/C25H22O4/c1-15-8-10-19(16(2)12-15)24(27)25-21(13-17-6-4-5-7-22(17)28-3)20-11-9-18(26)14-23(20)29-25/h4-12,14,26H,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50118988 ((2-Chloro-phenyl)-(6-hydroxy-3-phenyl-benzofuran-2...) Show SMILES Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1ccccc1 Show InChI InChI=1S/C21H13ClO3/c22-17-9-5-4-8-15(17)20(24)21-19(13-6-2-1-3-7-13)16-11-10-14(23)12-18(16)25-21/h1-12,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Binding to Estrogen receptor- alpha (ER alpha) receptor				Bioorg Med Chem Lett 12: 2875-8 (2002) BindingDB Entry DOI: 10.7270/Q2F18Z2H
					More data for this Ligand-Target Pair

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