Compile Data Set for Download or QSAR

Found 610 hits with Last Name = 'govek' and Initial = 'sp'   

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))	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 US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona at Tucson					Assay Description MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...				J Med Chem 49: 2868-75 (2006) BindingDB Entry DOI: 10.7270/Q2PN97Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50508708 (CHEMBL4438260) Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3/t28-/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50508704 (CHEMBL4435067) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,17-18H2,1H3/t20-,29?/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508703 (CHEMBL4563316) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC(CF)CC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C30H32FNO4/c1-20-27-18-25(34)7-10-28(27)36-30(29(20)23-3-2-4-24(33)17-23)22-5-8-26(9-6-22)35-16-15-32-13-11-21(19-31)12-14-32/h2-10,17-18,21,30,33-34H,11-16,19H2,1H3	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368203 (US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508700 (CHEMBL4453442) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30-/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368203 (US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona at Tucson					Assay Description MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...				J Med Chem 49: 2868-75 (2006) BindingDB Entry DOI: 10.7270/Q2PN97Z7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508710 (CHEMBL4461269) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC[C@H]2CF)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-17-24(33)9-12-27(26)35-29(28(19)21-4-2-6-23(32)16-21)20-7-10-25(11-8-20)34-15-14-31-13-3-5-22(31)18-30/h2,4,6-12,16-17,22,29,32-33H,3,5,13-15,18H2,1H3/t22-,29?/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508701 (CHEMBL4464718) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C29H27FN2O3/c1-19-26-14-24(33)8-11-27(26)35-29(28(19)22-4-2-20(16-31)3-5-22)23-6-9-25(10-7-23)34-13-12-32-17-21(15-30)18-32/h2-11,14,21,29,33H,12-13,15,17-18H2,1H3	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508709 (CHEMBL4576272) Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC(CF)C1 |r,c:22| Show InChI InChI=1S/C29H30FNO4/c1-18(31-15-20(14-30)16-31)17-34-25-9-6-21(7-10-25)29-28(22-4-3-5-23(32)12-22)19(2)26-13-24(33)8-11-27(26)35-29/h3-13,18,20,29,32-33H,14-17H2,1-2H3/t18-,29?/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508707 (CHEMBL4438992) Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30?/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508697 (CHEMBL4438826) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C(F)F)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H29F2NO4/c1-18-25-16-23(34)7-10-26(25)36-28(27(18)20-3-2-4-22(33)15-20)19-5-8-24(9-6-19)35-14-13-32-12-11-21(17-32)29(30)31/h2-10,15-16,21,28-29,33-34H,11-14,17H2,1H3/t21-,28?/m1/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368197 ((-)-2-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona at Tucson					Assay Description MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...				J Med Chem 49: 2868-75 (2006) BindingDB Entry DOI: 10.7270/Q2PN97Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50508706 (CHEMBL4574167) Show SMILES COC[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:28| Show InChI InChI=1S/C30H33NO5/c1-20-27-17-25(33)8-11-28(27)36-30(29(20)23-4-3-5-24(32)16-23)22-6-9-26(10-7-22)35-15-14-31-13-12-21(18-31)19-34-2/h3-11,16-17,21,30,32-33H,12-15,18-19H2,1-2H3/t21-,30?/m1/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368197 ((-)-2-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)...) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50508702 (CHEMBL4454014) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| 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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona at Tucson					Assay Description MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...				J Med Chem 49: 2868-75 (2006) BindingDB Entry DOI: 10.7270/Q2PN97Z7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508705 (CHEMBL4450664) Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C#N)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H28N2O4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,18H2,1H3/t20-,29?/m0/s1	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
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317611 (4-(3,5-dichloropyridin-4-ylamino)-8-(3-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCN(C)C Show InChI InChI=1S/C20H21Cl2N3O4/c1-25(2)7-4-8-28-20-16(27-3)6-5-12-15(9-17(26)29-19(12)20)24-18-13(21)10-23-11-14(18)22/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317616 (4-(3,5-dichloropyridin-4-ylamino)-8-(8-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCN(C)C Show InChI InChI=1S/C25H31Cl2N3O4/c1-30(2)12-8-6-4-5-7-9-13-33-25-21(32-3)11-10-17-20(14-22(31)34-24(17)25)29-23-18(26)15-28-16-19(23)27/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317610 (9-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCC(O)=O Show InChI InChI=1S/C24H26Cl2N2O6/c1-32-19-10-9-15-18(28-22-16(25)13-27-14-17(22)26)12-21(31)34-23(15)24(19)33-11-7-5-3-2-4-6-8-20(29)30/h9-10,12-14H,2-8,11H2,1H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317609 (8-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCC(O)=O Show InChI InChI=1S/C23H24Cl2N2O6/c1-31-18-9-8-14-17(27-21-15(24)12-26-13-16(21)25)11-20(30)33-22(14)23(18)32-10-6-4-2-3-5-7-19(28)29/h8-9,11-13H,2-7,10H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317615 (4-(3,5-dichloropyridin-4-ylamino)-8-(7-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCN(C)C Show InChI InChI=1S/C24H29Cl2N3O4/c1-29(2)11-7-5-4-6-8-12-32-24-20(31-3)10-9-16-19(13-21(30)33-23(16)24)28-22-17(25)14-27-15-18(22)26/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368198 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona at Tucson					Assay Description MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...				J Med Chem 49: 2868-75 (2006) BindingDB Entry DOI: 10.7270/Q2PN97Z7
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317614 (4-(3,5-dichloropyridin-4-ylamino)-8-(6-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCN(C)C Show InChI InChI=1S/C23H27Cl2N3O4/c1-28(2)10-6-4-5-7-11-31-23-19(30-3)9-8-15-18(12-20(29)32-22(15)23)27-21-16(24)13-26-14-17(21)25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317603 (8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamin...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1 Show InChI InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317604 (2-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(O)=O Show InChI InChI=1S/C17H12Cl2N2O6/c1-25-12-3-2-8-11(21-15-9(18)5-20-6-10(15)19)4-14(24)27-16(8)17(12)26-7-13(22)23/h2-6H,7H2,1H3,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50368866 (CHEMBL4159656) Show SMILES C[C@@H](COc1ccc(cc1)[C@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508699 (CHEMBL4460877) Show SMILES C[C@@H](COc1ccc(cc1)[C@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM368198 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50508698 (CHEMBL4548012) Show SMILES CC1=C([C@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Seragon Pharmaceuticals Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay				ACS Med Chem Lett 10: 50-55 (2019) Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317608 (7-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCC(O)=O Show InChI InChI=1S/C22H22Cl2N2O6/c1-30-17-8-7-13-16(26-20-14(23)11-25-12-15(20)24)10-19(29)32-21(13)22(17)31-9-5-3-2-4-6-18(27)28/h7-8,10-12H,2-6,9H2,1H3,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317613 (4-(3,5-dichloropyridin-4-ylamino)-8-(5-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCN(C)C Show InChI InChI=1S/C22H25Cl2N3O4/c1-27(2)9-5-4-6-10-30-22-18(29-3)8-7-14-17(11-19(28)31-21(14)22)26-20-15(23)12-25-13-16(20)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317607 (6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCC(O)=O Show InChI InChI=1S/C21H20Cl2N2O6/c1-29-16-7-6-12-15(25-19-13(22)10-24-11-14(19)23)9-18(28)31-20(12)21(16)30-8-4-2-3-5-17(26)27/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317612 (4-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCN(C)C Show InChI InChI=1S/C21H23Cl2N3O4/c1-26(2)8-4-5-9-29-21-17(28-3)7-6-13-16(10-18(27)30-20(13)21)25-19-14(22)11-24-12-15(19)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317606 (5-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCC(O)=O Show InChI InChI=1S/C20H18Cl2N2O6/c1-28-15-6-5-11-14(24-18-12(21)9-23-10-13(18)22)8-17(27)30-19(11)20(15)29-7-3-2-4-16(25)26/h5-6,8-10H,2-4,7H2,1H3,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 21.44 (5-(5-(6-Azaspiro[2.5]octan-6-yl)-1H- pyrazolo[3,4-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 1.04 (5-(5-(3-Chloro-4-hydroxyphenyl)-1H-indazol- 1-yl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.66 (2,6-Difluoro-3-(6-fluoro-3-methyl-5- (methyl(tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.67 (2,6-Difluoro-3-(6-fluoro-3-methyl-5-(7-oxa-4- azas...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.68 (2,6-Difluoro-3-(6-fluoro-3-methyl-5- (methyl(tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.69 (2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro- 2H-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.70 (2,6-Difluoro-3-(5-(methyl(tetrahydro-2H-pyran- 4-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.77 (2,6-Difluoro-3-(5-(4-methoxypiperidin-1-yl)-3- met...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.78 (2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro- 2H-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.79 (2,6-Difluoro-3-(3-methyl-5-(2,2,6,6- tetramethylmo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.81 (2,6-Difluoro-3-(3-methyl-5-(4-oxa-7- azaspiro[2.5]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13 (Human)	US20240034736, Compound 19.82 (2,6-Difluoro-3-(3-methyl-5-(5-oxa-8- azaspiro[3.5]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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