Compile Data Set for Download or QSAR

Found 450 hits with Last Name = 'paw' and Initial = 'z'   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK1 by homogenous luciferase assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50027431 (HYDROXYFASUDIL | Hydroxy-Fasudil) Show SMILES Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK1 by homogenous luciferase assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14029 ((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK1 by homogenous luciferase assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM14029 ((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by homogenous luciferase assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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 Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172022 (4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12 Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50308898 (3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...) Show SMILES NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c26-23(31)18-5-7-21(8-6-18)30-25(33)28-14-16-2-1-3-19(12-16)24(32)29-22-9-4-17-10-11-27-15-20(17)13-22/h1-9,12-13,27H,10-11,14-15H2,(H2,26,31)(H,29,32)(H2,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172021 (4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...) Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172020 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172032 (2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H28N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h4-16,33H,17-18H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219447 (2-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C23H25F4NO2/c1-14-8-15(2)18(12-28)16(9-14)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172033 (2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H27FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h4-14,32,35H,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172034 (2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H34N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h5,8-9,12-16,20,33H,4,6-7,10-11,17-18H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172025 (2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...) Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172025 (2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...) Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172025 (2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...) Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219457 (4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C23H25F4NO2/c1-14-8-16(9-15(2)18(14)12-28)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50319634 (CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...) Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ROCK2				Bioorg Med Chem Lett 20: 3235-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.070 BindingDB Entry DOI: 10.7270/Q21N819Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172023 (2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...) Show SMILES CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H27NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h3-15,31H,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319634 (CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...) Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ROCK1				Bioorg Med Chem Lett 20: 3235-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.070 BindingDB Entry DOI: 10.7270/Q21N819Z
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50308858 (3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(4-dimethyla...) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C(N)=O)c2)cc1 Show InChI InChI=1S/C25H27N5O3/c1-30(2)16-17-6-10-21(11-7-17)28-24(32)20-5-3-4-18(14-20)15-27-25(33)29-22-12-8-19(9-13-22)23(26)31/h3-14H,15-16H2,1-2H3,(H2,26,31)(H,28,32)(H2,27,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50308862 (3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...) Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C25H23N5O2/c26-14-17-4-7-22(8-5-17)30-25(32)28-15-18-2-1-3-20(12-18)24(31)29-23-9-6-19-10-11-27-16-21(19)13-23/h1-9,12-13,27H,10-11,15-16H2,(H,29,31)(H2,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172021 (4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...) Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219444 (3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,28H,10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50308897 (3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...) Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50319635 (CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...) Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1 Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ROCK2				Bioorg Med Chem Lett 20: 3235-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.070 BindingDB Entry DOI: 10.7270/Q21N819Z
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319636 (CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...) Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ROCK1				Bioorg Med Chem Lett 20: 3235-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.070 BindingDB Entry DOI: 10.7270/Q21N819Z
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172025 (2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...) Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172025 (2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...) Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219449 (3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H21ClF4O3/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,11,28H,10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219471 (4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H22F4O3/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,12,27H,11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50172027 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O Show InChI InChI=1S/C27H32FNO5/c1-26(2,22-13-19(28)8-11-23(22)30)16-27(33,14-17-6-4-3-5-7-17)25(32)29-20-9-10-21-18(12-20)15-34-24(21)31/h8-13,17,30,33H,3-7,14-16H2,1-2H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219453 (4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14| Show InChI InChI=1S/C25H23F4NO2/c1-23(2,21-12-18(26)10-11-22(21)32-3)15-24(31,25(27,28)29)13-16-8-9-17(14-30)20-7-5-4-6-19(16)20/h4-12,31H,13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219446 (3-fluoro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50201104 (4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172022 (4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12 Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50319636 (CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...) Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ROCK2				Bioorg Med Chem Lett 20: 3235-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.070 BindingDB Entry DOI: 10.7270/Q21N819Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219451 (3-chloro-5-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(c1)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,17-9-16(23)4-5-18(17)29-3)12-20(28,21(24,25)26)10-13-6-14(11-27)8-15(22)7-13/h4-9,28H,10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172023 (2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...) Show SMILES CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H27NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h3-15,31H,16-18H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50172021 (4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...) Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards mineralocorticoid receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50219467 (4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...) Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,27H,11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172032 (2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H28N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h4-16,33H,17-18H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172033 (2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H27FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h4-14,32,35H,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50308876 (3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...) Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C26H27N3O4/c1-32-23-9-7-20(14-24(23)33-2)25(30)28-15-17-4-3-5-19(12-17)26(31)29-22-8-6-18-10-11-27-16-21(18)13-22/h3-9,12-14,27H,10-11,15-16H2,1-2H3,(H,28,30)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell				Bioorg Med Chem Lett 17: 5025-31 (2007) Article DOI: 10.1016/j.bmcl.2007.07.031 BindingDB Entry DOI: 10.7270/Q2G73FJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50172038 (4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...) Show SMILES Cc1cccc(CC(O)(CC(C)(C)c2cc(F)ccc2O)C(=O)Nc2ccc3C(=O)OCc3c2)c1 Show InChI InChI=1S/C28H28FNO5/c1-17-5-4-6-18(11-17)14-28(34,16-27(2,3)23-13-20(29)7-10-24(23)31)26(33)30-21-8-9-22-19(12-21)15-35-25(22)32/h4-13,31,34H,14-16H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172020 (2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...) Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50172024 (2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4...) Show SMILES CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O Show InChI InChI=1S/C27H26FNO5/c1-26(2,22-13-19(28)8-11-23(22)30)16-27(33,14-17-6-4-3-5-7-17)25(32)29-20-9-10-21-18(12-20)15-34-24(21)31/h3-13,30,33H,14-16H2,1-2H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay				Bioorg Med Chem Lett 15: 4761-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.025 BindingDB Entry DOI: 10.7270/Q24T6K5P
					More data for this Ligand-Target Pair

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