Compile Data Set for Download or QSAR

Found 2073 hits with Last Name = 'pio' and Initial = 'b'   

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
Androgen Receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	0.200	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50129152 ((6S,8S,10R,14S,15S)-17-Acetyl-6,10-dimethyl-13-(R)...) Show SMILES C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28| Show InChI InChI=1S/C25H36O3/c1-15-12-19-20(23(4)9-6-18(28)13-22(15)23)7-10-24(5)21(19)8-11-25(24,17(3)27)14-16(2)26/h13,15,19-21H,6-12,14H2,1-5H3/t15-,19?,20-,21-,23+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133141 (9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-2-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1| Show InChI InChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133131 (9-Fluoro-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-yli...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H24FNO/c1-16-7-5-6-8-18(16)13-24-26-20(21-14-19(28)9-12-23(21)30-24)10-11-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133135 (9-Fluoro-2,2,4-trimethyl-5-[1-(2-methylsulfanyl-ph...) Show SMILES CSc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28| Show InChI InChI=1S/C27H24FNOS/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-22(20)30-23(26(19)25(16)21)13-17-7-5-6-8-24(17)31-4/h5-15,29H,1-4H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133146 (7-Fluoro-2,2,4-trimethyl-5-[1-phenyl-meth-(Z)-ylid...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-13-12-18-19-10-7-11-20(27)25(19)29-22(24(18)23(16)21)14-17-8-5-4-6-9-17/h4-15,28H,1-3H3/b22-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133139 (9-Fluoro-5-[1-(2-fluoro-phenyl)-meth-(Z)-ylidene]-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4F)c3c12 |t:1| Show InChI InChI=1S/C26H21F2NO/c1-15-14-26(2,3)29-21-10-9-18-19-13-17(27)8-11-22(19)30-23(25(18)24(15)21)12-16-6-4-5-7-20(16)28/h4-14,29H,1-3H3/b23-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133152 (9-Fluoro-2,2,4-trimethyl-5-[1-phenyl-meth-(Z)-ylid...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-11-10-19-20-14-18(27)9-12-22(20)29-23(25(19)24(16)21)13-17-7-5-4-6-8-17/h4-15,28H,1-3H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133143 (7-Fluoro-5-[1-(4-fluoro-phenyl)-meth-(Z)-ylidene]-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccc(F)cc4)c3c12 |t:1| Show InChI InChI=1S/C26H21F2NO/c1-15-14-26(2,3)29-21-12-11-18-19-5-4-6-20(28)25(19)30-22(24(18)23(15)21)13-16-7-9-17(27)10-8-16/h4-14,29H,1-3H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					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 KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at human progesterone receptor.				Bioorg Med Chem Lett 13: 2075-8 (2003) BindingDB Entry DOI: 10.7270/Q2P55P2M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM252994 (US9469608, 23-4b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1NCc2ccccc12 |r| Show InChI InChI=1/C22H25ClN4O2/c23-17-8-7-14(11-24)16(10-17)13-26-21(28)19-6-3-9-27(19)22(29)20-18-5-2-1-4-15(18)12-25-20/h1-2,4-5,7-8,10,19-20,25H,3,6,9,11-13,24H2,(H,26,28)/t19-,20-/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					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 KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL									Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50133151 (CHEMBL336353 | {2-[9-Fluoro-2,2,4-trimethyl-1,2-di...) Show SMILES CN(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29| Show InChI InChI=1S/C28H27FN2O/c1-17-16-28(2,3)30-22-12-11-20-21-15-19(29)10-13-24(21)32-25(27(20)26(17)22)14-18-8-6-7-9-23(18)31(4)5/h6-16,30H,1-5H3/b25-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133140 (9-Fluoro-2,2,4-trimethyl-5-[1-thiophen-3-yl-meth-(...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12 |t:1| Show InChI InChI=1S/C24H20FNOS/c1-14-12-24(2,3)26-19-6-5-17-18-11-16(25)4-7-20(18)27-21(23(17)22(14)19)10-15-8-9-28-13-15/h4-13,26H,1-3H3/b21-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133153 (9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-4-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12 |t:1| Show InChI InChI=1S/C26H23FN2O/c1-15-13-26(3,4)29-21-7-6-19-20-12-18(27)5-8-22(20)30-23(25(19)24(15)21)11-17-9-10-28-14-16(17)2/h5-14,29H,1-4H3/b23-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133133 (7-Fluoro-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-yli...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H24FNO/c1-16-8-5-6-9-18(16)14-23-25-19(20-10-7-11-21(28)26(20)30-23)12-13-22-24(25)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133150 (9-Fluoro-2,2,4-trimethyl-5-[1-pyridin-4-yl-meth-(Z...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4)c3c12 |t:1| Show InChI InChI=1S/C25H21FN2O/c1-15-14-25(2,3)28-20-6-5-18-19-13-17(26)4-7-21(19)29-22(24(18)23(15)20)12-16-8-10-27-11-9-16/h4-14,28H,1-3H3/b22-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133147 (9-Fluoro-2,2,4-trimethyl-5-[1-(2-propyl-phenyl)-me...) Show SMILES CCCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29| Show InChI InChI=1S/C29H28FNO/c1-5-8-19-9-6-7-10-20(19)15-26-28-22(23-16-21(30)11-14-25(23)32-26)12-13-24-27(28)18(2)17-29(3,4)31-24/h6-7,9-17,31H,5,8H2,1-4H3/b26-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133138 (9-Fluoro-5-[1-(2-isopropyl-phenyl)-meth-(Z)-yliden...) Show SMILES CC(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29| Show InChI InChI=1S/C29H28FNO/c1-17(2)21-9-7-6-8-19(21)14-26-28-22(23-15-20(30)10-13-25(23)32-26)11-12-24-27(28)18(3)16-29(4,5)31-24/h6-17,31H,1-5H3/b26-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50129146 ((Z)-5-(bromomethylene)-9-fluoro-2,2,4-trimethyl-2,...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/Br)c3c12 |t:1| Show InChI InChI=1S/C20H17BrFNO/c1-11-9-20(2,3)23-15-6-5-13-14-8-12(22)4-7-16(14)24-17(10-21)19(13)18(11)15/h4-10,23H,1-3H3/b17-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133136 (5-[1-(2-Ethyl-phenyl)-meth-(Z)-ylidene]-9-fluoro-2...) Show SMILES CCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28| Show InChI InChI=1S/C28H26FNO/c1-5-18-8-6-7-9-19(18)14-25-27-21(22-15-20(29)10-13-24(22)31-25)11-12-23-26(27)17(2)16-28(3,4)30-23/h6-16,30H,5H2,1-4H3/b25-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50129145 (9-Fluoro-2,2,4-trimethyl-5-((Z)-3-methyl-but-2-eny...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6]-1/[#8]-c2ccc(F)cc2-c2ccc3-[#7]C([#6])([#6])[#6]=[#6](-[#6])-c3c-12 |t:23| Show InChI InChI=1S/C24H24FNO/c1-14(2)6-10-21-23-17(18-12-16(25)7-11-20(18)27-21)8-9-19-22(23)15(3)13-24(4,5)26-19/h6-13,26H,1-5H3/b21-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human progesterone receptor; Not active				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM253008 (US9469608, 36-3) Show SMILES OC1(CCc2cccnc12)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1/C22H22ClN7O3/c23-16-5-6-17(30-13-26-27-28-30)15(11-16)12-25-20(31)18-4-2-10-29(18)21(32)22(33)8-7-14-3-1-9-24-19(14)22/h1,3,5-6,9,11,13,18,33H,2,4,7-8,10,12H2,(H,25,31)/t18-,22?/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM253006 (US9469608, 34-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1NCc2ccccc12 |r| Show InChI InChI=1/C21H23ClN4O2/c22-16-6-5-13(10-23)15(9-16)12-25-20(27)18-7-8-26(18)21(28)19-17-4-2-1-3-14(17)11-24-19/h1-6,9,18-19,24H,7-8,10-12,23H2,(H,25,27)/t18-,19?/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086537 (2,2,4-Trimethyl-6-(5-nitro-thiophen-2-yl)-1,2-dihy...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1| Show InChI InChI=1S/C16H16N2O2S/c1-10-9-16(2,3)17-13-5-4-11(8-12(10)13)14-6-7-15(21-14)18(19)20/h4-9,17H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL									Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133130 (2-[9-Fluoro-2,2,4-trimethyl-1,2-dihydro-6-oxa-1-az...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C=O)c3c12 |t:1| Show InChI InChI=1S/C27H22FNO2/c1-16-14-27(2,3)29-22-10-9-20-21-13-19(28)8-11-23(21)31-24(26(20)25(16)22)12-17-6-4-5-7-18(17)15-30/h4-15,29H,1-3H3/b24-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of DHT binding to human androgen receptor expressed in baculovirus SF-12 cells				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50179351 ((2-chloro-3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)(4-...) Show SMILES CN1CCN(CC1)C(=O)c1cc2sc(Cl)c(C)c2[nH]1 Show InChI InChI=1S/C13H16ClN3OS/c1-8-11-10(19-12(8)14)7-9(15-11)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells				J Med Chem 48: 8289-98 (2005) Article DOI: 10.1021/jm0502081 BindingDB Entry DOI: 10.7270/Q2C24W00
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230675 (US9340530, 13) Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12)C(=O)NCCO |r| Show InChI InChI=1/C26H27F3N2O4/c1-15-21(9-8-20-7-6-18(13-31-20)17-4-3-5-19(27)12-17)22-16(2)35-24(34)25(22,14-26(15,28)29)23(33)30-10-11-32/h3-9,12-13,15-16,21-22,32H,10-11,14H2,1-2H3,(H,30,33)/b9-8+/t15-,16+,21-,22?,25+/s2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230672 (US9340530, 10) Show SMILES C[C@H]1OC(=O)[C@]2(O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12 |r| Show InChI InChI=1/C23H22F3NO3/c1-13-19(20-14(2)30-21(28)22(20,29)12-23(13,25)26)9-8-18-7-6-16(11-27-18)15-4-3-5-17(24)10-15/h3-11,13-14,19-20,29H,12H2,1-2H3/b9-8+/t13-,14+,19-,20?,22-/s2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM230664 (US9340530, 2) Show SMILES C[C@H]1OC(=O)C2CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)C12 |r| Show InChI InChI=1/C23H22F3NO2/c1-13-19(21-14(2)29-22(28)20(21)11-23(13,25)26)9-8-18-7-6-16(12-27-18)15-4-3-5-17(24)10-15/h3-10,12-14,19-21H,11H2,1-2H3/b9-8+/t13-,14+,19-,20?,21?/s2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. P...				US Patent US9340530 (2016) BindingDB Entry DOI: 10.7270/Q2K35SJH
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50129144 ((Z)-5-butylidene-9-fluoro-2,2,4-trimethyl-2,5-dihy...) Show SMILES CCC\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22| Show InChI InChI=1S/C23H24FNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h7-13,25H,5-6H2,1-4H3/b20-7-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1226 (2-Aminobenzyl-Substituted AHPPA deriv. 44 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C49H56N6O7/c1-49(2,3)44(55-48(61)62-31-35-17-9-5-10-18-35)46(59)53-39(27-32-15-7-4-8-16-32)43(57)42(45(58)54-41-38-22-14-13-19-36(38)28-40(41)56)50-29-33-23-25-34(26-24-33)30-51-47(60)52-37-20-11-6-12-21-37/h4-26,39-44,50,56-57H,27-31H2,1-3H3,(H,53,59)(H,54,58)(H,55,61)(H2,51,52,60)/t39-,40+,41-,42+,43+,44+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM964 (2-Aminobenzyl-Substituted AHPPA deriv. 1 | 5PhBuCO...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38-,39-,40+,41+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	-50.3	25	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM964 (2-Aminobenzyl-Substituted AHPPA deriv. 1 | 5PhBuCO...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38-,39-,40+,41+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM253013 (US9469608, 39-10b) Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@@H]1NS(=O)(=O)c2ccccc12 |r| Show InChI InChI=1/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM253012 (US9469608, 39-10a) Show SMILES NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)[C@H]1NS(=O)(=O)c2ccccc12 |r| Show InChI InChI=1/C21H23ClN4O4S/c22-15-8-7-13(11-23)14(10-15)12-24-20(27)17-5-3-9-26(17)21(28)19-16-4-1-2-6-18(16)31(29,30)25-19/h1-2,4,6-8,10,17,19,25H,3,5,9,11-12,23H2,(H,24,27)/t17?,19-/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM252985 (US9469608, 13-10) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(c[nH]1)-c1ccncc1 |r| Show InChI InChI=1/C23H24ClN5O2/c24-19-4-3-16(12-25)17(10-19)14-28-22(30)21-2-1-9-29(21)23(31)20-11-18(13-27-20)15-5-7-26-8-6-15/h3-8,10-11,13,21,27H,1-2,9,12,14,25H2,(H,28,30)/t21-/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line				Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086546 (4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...) Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1| Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line				Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50133144 (9-Fluoro-5-[1-(2-methoxy-phenyl)-meth-(Z)-ylidene]...) Show SMILES COc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28| Show InChI InChI=1S/C27H24FNO2/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-23(20)31-24(26(19)25(16)21)13-17-7-5-6-8-22(17)30-4/h5-15,29H,1-4H3/b24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM253004 (US9469608, 32-7) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)CCCc2cccnc12 |r| Show InChI InChI=1/C23H27ClN4O3/c24-18-8-7-16(13-25)17(12-18)14-27-21(29)19-6-3-11-28(19)22(30)23(31)9-1-4-15-5-2-10-26-20(15)23/h2,5,7-8,10,12,19,31H,1,3-4,6,9,11,13-14,25H2,(H,27,29)/t19-,23?/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. R...				US Patent US9469608 (2016) BindingDB Entry DOI: 10.7270/Q2F18XNQ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against human progesterone receptor (hPR) in a competitive binding assay				Bioorg Med Chem Lett 10: 415-8 (2000) BindingDB Entry DOI: 10.7270/Q2P26ZMF
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells				J Med Chem 48: 8289-98 (2005) Article DOI: 10.1021/jm0502081 BindingDB Entry DOI: 10.7270/Q2C24W00
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1228 (2-Aminobenzyl-Substituted AHPPA deriv. 46 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C52H59N7O7/c1-52(2,3)48(59-51(65)66-32-36-16-8-5-9-17-36)50(64)57-41(28-33-14-6-4-7-15-33)47(62)46(49(63)58-45-38-19-11-10-18-37(38)29-42(45)60)54-31-35-24-22-34(23-25-35)30-53-44(61)27-26-43-55-39-20-12-13-21-40(39)56-43/h4-25,41-42,45-48,54,60,62H,26-32H2,1-3H3,(H,53,61)(H,55,56)(H,57,64)(H,58,63)(H,59,65)/t41-,42+,45-,46+,47+,48+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair

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