Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Estradiol-bound Estrogen receptor [255-595]' AND taxid = 9606   

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
Estradiol-bound Estrogen receptor [255-595] (Homo sapiens (Human))	BDBM217392 (CLTERHKILHRLLQE | NRBoxII) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	7.4	25
University of Delaware					Assay Description Peptides and the ERα LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations...				Biochemistry 56: 1062-1074 (2017) Article DOI: 10.1021/acs.biochem.6b01020 BindingDB Entry DOI: 10.7270/Q23B5Z0G
					More data for this Ligand-Target Pair
Estradiol-bound Estrogen receptor [255-595] (Homo sapiens (Human))	BDBM217393 (CLTERHK(Hse(C4F9))LHRLLQE | Ile8Hse(C4F9)) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	7.4	25
University of Delaware					Assay Description Peptides and the ERα LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations...				Biochemistry 56: 1062-1074 (2017) Article DOI: 10.1021/acs.biochem.6b01020 BindingDB Entry DOI: 10.7270/Q23B5Z0G
					More data for this Ligand-Target Pair
Estradiol-bound Estrogen receptor [255-595] (Homo sapiens (Human))	BDBM217396 (CLTERHKI(hyp(C4F9))HRLLQE | Leu9hyp(C4F9)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	7.4	25
University of Delaware					Assay Description Peptides and the ERα LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations...				Biochemistry 56: 1062-1074 (2017) Article DOI: 10.1021/acs.biochem.6b01020 BindingDB Entry DOI: 10.7270/Q23B5Z0G
					More data for this Ligand-Target Pair
Estradiol-bound Estrogen receptor [255-595] (Homo sapiens (Human))	BDBM217395 (CLTERHKILHR(Hse(C4F9))LQE | Leu12Hse(C4F9)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	7.4	25
University of Delaware					Assay Description Peptides and the ERα LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations...				Biochemistry 56: 1062-1074 (2017) Article DOI: 10.1021/acs.biochem.6b01020 BindingDB Entry DOI: 10.7270/Q23B5Z0G
					More data for this Ligand-Target Pair
Estradiol-bound Estrogen receptor [255-595] (Homo sapiens (Human))	BDBM217394 (CLTERHKI(Hse(C4F9))HRLLQE | Leu9Hse(C4F9)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@H](CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.30E+4	n/a	n/a	n/a	7.4	25
University of Delaware					Assay Description Peptides and the ERα LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations...				Biochemistry 56: 1062-1074 (2017) Article DOI: 10.1021/acs.biochem.6b01020 BindingDB Entry DOI: 10.7270/Q23B5Z0G
					More data for this Ligand-Target Pair