Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'hoffmann' and Initial = 'j'   

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
Progesterone receptor (Homo sapiens (Human))	BDBM50409115 (LONAPRISAN) Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37| Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.00250	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50409115 (LONAPRISAN) Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37| Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.00360	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antgonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101232 (US8524722, 70) Show SMILES CN(C)C(=O)N1CCN(C\C=C\C(=O)N2CCc3c(C2)sc2ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1 Show InChI InChI=1S/C26H29ClFN7O2S/c1-32(2)26(37)34-12-10-33(11-13-34)8-3-4-22(36)35-9-7-18-21(15-35)38-25-23(18)24(29-16-30-25)31-17-5-6-20(28)19(27)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,29,30,31)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101243 (US8524722, 143) Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl Show InChI InChI=1S/C25H27Cl2N5O2S/c26-19-7-6-17(14-20(19)27)30-24-23-18-4-1-10-32(15-21(18)35-25(23)29-16-28-24)22(33)5-2-8-31-9-3-12-34-13-11-31/h2,5-7,14,16H,1,3-4,8-13,15H2,(H,28,29,30)/b5-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101241 (US8524722, 134) Show SMILES CN(C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)c(Cl)c(Cl)c3)c21)C(C)(C)C Show InChI InChI=1S/C24H27Cl2N5O2S/c1-24(2,3)30(4)8-5-6-19(33)31-9-7-15-18(12-31)34-23-20(15)22(27-13-28-23)29-14-10-16(25)21(26)17(32)11-14/h5-6,10-11,13,32H,7-9,12H2,1-4H3,(H,27,28,29)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101240 (US8524722, 123) Show SMILES CC(C)C(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)cc(Cl)c3)c21 Show InChI InChI=1S/C24H27ClN4O2S/c1-14(2)15(3)5-4-6-21(31)29-8-7-19-20(12-29)32-24-22(19)23(26-13-27-24)28-17-9-16(25)10-18(30)11-17/h4,6,9-11,13-15,30H,5,7-8,12H2,1-3H3,(H,26,27,28)/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101237 (US8524722, 90) Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)oc1ncnc(Nc3ccc(F)c(Cl)c3)c21 Show InChI InChI=1S/C23H25ClFN5O2/c1-14(2)29(3)9-4-5-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-15-6-7-18(25)17(24)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101239 (US8524722, 119) Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CNC23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:34:25:32:28.29.30,THB:33:25:28:32.31.30,33:31:28:25.34.26,24:25:32:28.29.30,34:29:32:25.33.26| Show InChI InChI=1S/C29H31Cl2N5OS/c30-22-4-3-20(11-23(22)31)35-27-26-21-5-7-36(15-24(21)38-28(26)33-16-32-27)25(37)2-1-6-34-29-12-17-8-18(13-29)10-19(9-17)14-29/h1-4,11,16-19,34H,5-10,12-15H2,(H,32,33,35)/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101230 (US8524722, 14) Show SMILES CN1CCC[C@H]1\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r| Show InChI InChI=1S/C23H23ClFN5OS/c1-29-9-2-3-15(29)5-7-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-14-4-6-18(25)17(24)11-14/h4-7,11,13,15H,2-3,8-10,12H2,1H3,(H,26,27,28)/b7-5+/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101228 (US8524722, 12) Show SMILES CC(C)(CN1CCOCC1)NC\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 Show InChI InChI=1S/C27H32ClFN6O2S/c1-27(2,16-34-10-12-37-13-11-34)32-8-3-4-23(36)35-9-7-19-22(15-35)38-26-24(19)25(30-17-31-26)33-18-5-6-21(29)20(28)14-18/h3-6,14,17,32H,7-13,15-16H2,1-2H3,(H,30,31,33)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101226 (US8524722, 5) Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl Show InChI InChI=1S/C24H25ClFN5O2S/c25-18-13-16(4-5-19(18)26)29-23-22-17-6-9-31(14-20(17)34-24(22)28-15-27-23)21(32)3-1-7-30-8-2-11-33-12-10-30/h1,3-5,13,15H,2,6-12,14H2,(H,27,28,29)/b3-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101231 (US8524722, 31) Show SMILES COCCN(CCOC)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 Show InChI InChI=1S/C25H29ClFN5O3S/c1-34-12-10-31(11-13-35-2)8-3-4-22(33)32-9-7-18-21(15-32)36-25-23(18)24(28-16-29-25)30-17-5-6-20(27)19(26)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,28,29,30)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101227 (US8524722, 10) Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2C3CCC2CC3)cc1Cl Show InChI InChI=1S/C25H25ClFN5OS/c26-19-12-15(3-8-20(19)27)30-24-23-18-9-11-31(13-21(18)34-25(23)29-14-28-24)22(33)2-1-10-32-16-4-5-17(32)7-6-16/h1-3,8,12,14,16-17H,4-7,9-11,13H2,(H,28,29,30)/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101234 (US8524722, 84) Show SMILES CC(C)N(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1 Show InChI InChI=1S/C22H23Cl2N5OS/c1-13(2)28(3)8-4-5-19(30)29-10-15-18(11-29)31-22-20(15)21(25-12-26-22)27-14-6-7-16(23)17(24)9-14/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,25,26,27)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101229 (US8524722, 13) Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\[C@@H]2CCCN2)cc1Cl |r| Show InChI InChI=1S/C22H21ClFN5OS/c23-16-10-14(3-5-17(16)24)28-21-20-15-7-9-29(11-18(15)31-22(20)27-12-26-21)19(30)6-4-13-2-1-8-25-13/h3-6,10,12-13,25H,1-2,7-9,11H2,(H,26,27,28)/b6-4+/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (MOUSE)	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101244 (US8524722, 148) Show SMILES Clc1ccc(Nc2c(cnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)C#N)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2S/c27-20-5-4-18(13-21(20)28)31-25-17(14-29)15-30-26-24(25)19-6-9-33(16-22(19)36-26)23(34)3-1-7-32-8-2-11-35-12-10-32/h1,3-5,13,15H,2,6-12,16H2,(H,30,31)/b3-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50330241 ((E)-4-(Dimethylamino)-1-(4-[(1R)-1-phenylethyl]ami...) Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H27N5OS/c1-16(17-8-5-4-6-9-17)26-22-21-18-11-13-28(20(29)10-7-12-27(2)3)14-19(18)30-23(21)25-15-24-22/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)/b10-7+/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101235 (US8524722, 86) Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C1 Show InChI InChI=1S/C27H25ClFN5O2S/c1-33(2)10-4-7-24(35)34-13-20-23(14-34)37-27-25(20)26(30-16-31-27)32-19-8-9-22(21(28)12-19)36-15-17-5-3-6-18(29)11-17/h3-9,11-12,16H,10,13-15H2,1-2H3,(H,30,31,32)/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101245 (US8524722, 151) Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncc(C#N)c(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c21 Show InChI InChI=1S/C33H32FN7OS/c1-21(2)39(3)12-5-8-30(42)40-13-11-27-29(20-40)43-33-31(27)32(24(16-35)17-36-33)38-26-9-10-28-23(15-26)18-37-41(28)19-22-6-4-7-25(34)14-22/h4-10,14-15,17-18,21H,11-13,19-20H2,1-3H3,(H,36,38)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101242 (US8524722, 139) Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1 Show InChI InChI=1S/C23H25Cl2N5OS/c1-14(2)29(3)9-4-5-20(31)30-10-8-19-16(12-30)21-22(26-13-27-23(21)32-19)28-15-6-7-17(24)18(25)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101238 (US8524722, 95) Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c21 Show InChI InChI=1S/C23H21ClFN5OS/c1-29(2)8-3-4-20(31)30-9-7-16-19(13-30)32-23-21(16)22(14(11-26)12-27-23)28-15-5-6-18(25)17(24)10-15/h3-6,10,12H,7-9,13H2,1-2H3,(H,27,28)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in CV-1 cells expressing androgen receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101233 (US8524722, 81) Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2C1 Show InChI InChI=1S/C20H19ClFN5OS/c1-26(2)7-3-4-17(28)27-9-13-16(10-27)29-20-18(13)19(23-11-24-20)25-12-5-6-15(22)14(21)8-12/h3-6,8,11H,7,9-10H2,1-2H3,(H,23,24,25)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (MOUSE)	BDBM50409115 (LONAPRISAN) Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37| Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM101236 (US8524722, 87) Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2C1 Show InChI InChI=1S/C26H25ClN6O2S/c1-32(2)11-5-7-23(34)33-13-19-22(14-33)36-26-24(19)25(29-16-30-26)31-17-8-9-21(20(27)12-17)35-15-18-6-3-4-10-28-18/h3-10,12,16H,11,13-15H2,1-2H3,(H,29,30,31)/b7-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.0	22
Bayer Intellectual Property GmbH US Patent					Assay Description EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.				US Patent US8524722 (2013) BindingDB Entry DOI: 10.7270/Q2B856RQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50409115 (LONAPRISAN) Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37| Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in CV-1 cells expressing androgen receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241922 (CHEMBL486991 | ddCTP SODIUM | sodium ((2S,5R)-5-(4...) Show SMILES Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/p-1/t6-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241929 (CHEMBL520861 | Mahureone D) Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6]-[#6](-[#6])-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8| Show InChI InChI=1S/C32H48O6/c1-10-11-22(17-25(34)35)27-29-32(15-14-20(4)5,18-23(31(27,8)9)13-12-19(2)3)28(36)26(30(37)38-29)24(33)16-21(6)7/h12,14,21-23,26H,10-11,13,15-18H2,1-9H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241923 (CHEMBL521208 | mahureone A) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10| Show InChI InChI=1S/C35H46O6/c1-21(2)14-15-25-20-35(17-16-22(3)4)31(39)29(27(36)18-23(5)6)33(40)41-32(35)30(34(25,7)8)26(19-28(37)38)24-12-10-9-11-13-24/h9-14,16,23,25-26,29H,15,17-20H2,1-8H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241924 (CHEMBL486797 | Mahureone B) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10| Show InChI InChI=1S/C35H46O6/c1-9-23(6)30(38)28-31(39)35(18-17-22(4)5)20-25(16-15-21(2)3)34(7,8)29(32(35)41-33(28)40)26(19-27(36)37)24-13-11-10-12-14-24/h10-15,17,23,25-26,28H,9,16,18-20H2,1-8H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241930 (CHEMBL486194 | Mahureone E) Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8| Show InChI InChI=1S/C32H48O6/c1-10-12-22(17-24(33)34)26-29-32(16-15-20(5)6,18-23(31(26,8)9)14-13-19(3)4)28(36)25(30(37)38-29)27(35)21(7)11-2/h13,15,21-23,25H,10-12,14,16-18H2,1-9H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50602335 (CHEMBL5186309) Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00956 BindingDB Entry DOI: 10.7270/Q2HM5DH2
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Mus musculus (Mouse))	BDBM50602335 (CHEMBL5186309) Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0580	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00956 BindingDB Entry DOI: 10.7270/Q2HM5DH2
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50602335 (CHEMBL5186309) Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00956 BindingDB Entry DOI: 10.7270/Q2HM5DH2
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Mus musculus (Mouse))	BDBM50602335 (CHEMBL5186309) Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00956 BindingDB Entry DOI: 10.7270/Q2HM5DH2
					More data for this Ligand-Target Pair