Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50014118   

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 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572829 (CHEMBL4856969) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCO)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572825 (CHEMBL4856892) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OC2CN(CCCO)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572832 (CHEMBL4845726) Show SMILES C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572828 (CHEMBL4864829) Show SMILES CCCN1CC(C1)Nc1cc(F)c([C@H]2N(CC(F)(F)CO)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572826 (CHEMBL4869698) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCC(F)F)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368199 ((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50572821 (CHEMBL4871161) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572824 (CHEMBL4857736) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50542086 (CHEMBL4649161) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CCCF)C2)cc1F |r| Show InChI InChI=1S/C28H33F4N3O/c1-17-11-21-20-7-4-5-8-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)12-18(13-23(25)31)36-19-14-34(15-19)10-6-9-29/h4-5,7-8,12-13,17,19,27,33H,6,9-11,14-16H2,1-3H3/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572831 (CHEMBL4877338) Show SMILES C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572823 (CHEMBL4860671) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC(=O)CN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572834 (CHEMBL4853118) Show SMILES COCC(F)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM299111 (US10125135, Example 1) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572822 (CHEMBL4866232) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50238741 (CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H] Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572833 (CHEMBL4873860) Show SMILES C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572827 (CHEMBL4871601) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CC(CF)CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572815 (CHEMBL4847707) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572820 (CHEMBL4850919) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@](C)(F)C#N)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572817 (CHEMBL4854930) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@@](C)(F)CO)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572814 (CHEMBL4867106) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(C)COC1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50503111 (CHEMBL4528514 | US11672785, Goodacre Compound 102 ...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50572836 (CHEMBL4877406) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572812 (CHEMBL4852984) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OCCN2CC(CF)C2)nc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572816 (CHEMBL4858543) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572818 (CHEMBL4847664) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@](C)(F)CO)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572830 (CHEMBL4864337) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572835 (CHEMBL4865515) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50572819 (CHEMBL4864628) Show SMILES C[C@@H](N1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572810 (CHEMBL4854999) Show SMILES C[C@@H]1Cc2c([nH]c3cccnc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50090462 (CHEMBL3581693 | US20240043442, Example GDC-0810) Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572813 (CHEMBL4862431) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572811 (CHEMBL4869612) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ncc(OCCN2CC(CF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50572837 (CHEMBL4877353) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)nc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition by LC/M...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes at 10 uM using midazolam as substrate preincubated for 10 mins followed by NADPH addition b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in HEK293 cells incubated for 5 mins by patch clamp assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in HEK293 cells incubated for 5 mins by patch clamp assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes at 10 uM using midazolam as substrate preincubated for 10 mins followed by NADPH addition b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP2C9 in human liver microsomes using (s)-warfarin as substrate preincubated for 30 mins followed by NADPH addition by LC/M...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP2C9 in human liver microsomes using (s)-warfarin as substrate preincubated for 30 mins followed by NADPH addition by LC/M...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP2C19 in human liver microsomes using (S)-Mephenytoin as substrate preincubated for 40 mins followed by NADPH addition by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50572809 (CHEMBL4866043) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP2C19 in human liver microsomes using (S)-Mephenytoin as substrate preincubated for 40 mins followed by NADPH addition by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50572808 (Gdc-9545 | Giredestrant | RO-7197597 | RO7197597) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition by LC/M...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00847 BindingDB Entry DOI: 10.7270/Q20R9T67
					More data for this Ligand-Target Pair