Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'o''rourke' and Initial = 'm'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
Legumain (Homo sapiens (Human))	BDBM50015362 (CHEMBL3264590) Show SMILES CCOc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C25H28N4O5/c1-2-33-21-6-3-5-19(13-21)18-10-8-17(9-11-18)16-34-25(32)29-12-4-7-22(29)24(31)28-20(15-26)14-23(27)30/h3,5-6,8-11,13,20,22H,2,4,7,12,14,16H2,1H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					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
Legumain (Homo sapiens (Human))	BDBM50015361 (CHEMBL3264589) Show SMILES COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O5/c1-32-20-5-2-4-18(12-20)17-9-7-16(8-10-17)15-33-24(31)28-11-3-6-21(28)23(30)27-19(14-25)13-22(26)29/h2,4-5,7-10,12,19,21H,3,6,11,13,15H2,1H3,(H2,26,29)(H,27,30)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					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
Legumain (Homo sapiens (Human))	BDBM50015348 (CHEMBL3264578) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1)C#N |r| Show InChI InChI=1S/C23H23FN4O4/c24-18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-32-23(31)28-11-1-2-20(28)22(30)27-19(13-25)12-21(26)29/h3-10,19-20H,1-2,11-12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					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
Legumain (Homo sapiens (Human))	BDBM50015363 (CHEMBL3264591) Show SMILES CC(C)Oc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C26H30N4O5/c1-17(2)35-22-6-3-5-20(13-22)19-10-8-18(9-11-19)16-34-26(33)30-12-4-7-23(30)25(32)29-21(15-27)14-24(28)31/h3,5-6,8-11,13,17,21,23H,4,7,12,14,16H2,1-2H3,(H2,28,31)(H,29,32)/t21-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015365 (CHEMBL3264593) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(Cl)nc1)C#N |r| Show InChI InChI=1S/C22H22ClN5O4/c23-19-8-7-16(12-26-19)15-5-3-14(4-6-15)13-32-22(31)28-9-1-2-18(28)21(30)27-17(11-24)10-20(25)29/h3-8,12,17-18H,1-2,9-10,13H2,(H2,25,29)(H,27,30)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015353 (CHEMBL3264583) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(Cl)c1)C#N |r| Show InChI InChI=1S/C23H23ClN4O4/c24-18-4-1-3-17(11-18)16-8-6-15(7-9-16)14-32-23(31)28-10-2-5-20(28)22(30)27-19(13-25)12-21(26)29/h1,3-4,6-9,11,19-20H,2,5,10,12,14H2,(H2,26,29)(H,27,30)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015351 (CHEMBL3264581) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)c(F)c1)C#N |r| Show InChI InChI=1S/C23H22F2N4O4/c24-18-8-7-16(10-19(18)25)15-5-3-14(4-6-15)13-33-23(32)29-9-1-2-20(29)22(31)28-17(12-26)11-21(27)30/h3-8,10,17,20H,1-2,9,11,13H2,(H2,27,30)(H,28,31)/t17-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					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
Legumain (Homo sapiens (Human))	BDBM50015359 (CHEMBL3264587) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)18-9-7-17(8-10-18)16-5-3-15(4-6-16)14-35-23(34)31-11-1-2-20(31)22(33)30-19(13-28)12-21(29)32/h3-10,19-20H,1-2,11-12,14H2,(H2,29,32)(H,30,33)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015339 (CHEMBL3264272) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccccc1)C#N |r| Show InChI InChI=1S/C23H24N4O4/c24-14-19(13-21(25)28)26-22(29)20-7-4-12-27(20)23(30)31-15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20H,4,7,12-13,15H2,(H2,25,28)(H,26,29)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015341 (CHEMBL3264274) Show SMILES Cc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-16-4-8-18(9-5-16)19-10-6-17(7-11-19)15-32-24(31)28-12-2-3-21(28)23(30)27-20(14-25)13-22(26)29/h4-11,20-21H,2-3,12-13,15H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015350 (CHEMBL3264580) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(F)c1F)C#N |r| Show InChI InChI=1S/C23H22F2N4O4/c24-18-4-1-3-17(21(18)25)15-8-6-14(7-9-15)13-33-23(32)29-10-2-5-19(29)22(31)28-16(12-26)11-20(27)30/h1,3-4,6-9,16,19H,2,5,10-11,13H2,(H2,27,30)(H,28,31)/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015360 (CHEMBL3264588) Show SMILES COc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O5/c1-32-20-10-8-18(9-11-20)17-6-4-16(5-7-17)15-33-24(31)28-12-2-3-21(28)23(30)27-19(14-25)13-22(26)29/h4-11,19,21H,2-3,12-13,15H2,1H3,(H2,26,29)(H,27,30)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015352 (CHEMBL3264582) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1F)C#N |r| Show InChI InChI=1S/C23H22F2N4O4/c24-16-7-8-18(19(25)10-16)15-5-3-14(4-6-15)13-33-23(32)29-9-1-2-20(29)22(31)28-17(12-26)11-21(27)30/h3-8,10,17,20H,1-2,9,11,13H2,(H2,27,30)(H,28,31)/t17-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM50015340 (CHEMBL3264273) Show SMILES Cc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c1-16-4-2-5-19(12-16)18-9-7-17(8-10-18)15-32-24(31)28-11-3-6-21(28)23(30)27-20(14-25)13-22(26)29/h2,4-5,7-10,12,20-21H,3,6,11,13,15H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair

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