Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'behnke' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM69602 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...) Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1B receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM69602 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...) Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1A receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1D receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in rat RBL cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2C receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2B receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in rat Chem-1 (RBL) cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2A receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50069984 ((R)-1-((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpe...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O Show InChI InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Cathepsin B				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50474153 (CHEMBL61630) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50474149 (CHEBI:70073 | Corynanrheidine) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2ccccc12)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1D receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50519927 (CHEMBL4546925) Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50474153 (CHEMBL61630) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in rat RBL cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50474151 (CHEMBL292521) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC Show InChI InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50519927 (CHEMBL4546925) Show SMILES [H][C@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in rat RBL cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50474149 (CHEBI:70073 | Corynanrheidine) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2ccccc12)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in rat RBL cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50474153 (CHEMBL61630) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in rat Chem-1 (RBL) cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Chymotrypsinogen				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin G				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1A receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50474149 (CHEBI:70073 | Corynanrheidine) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2ccccc12)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in rat RBL cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2C receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2A receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	4.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1B receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant adrenergic alpha-1D receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	9.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2B receptor expressed in CHO cell membranes incubated for 60 mins				J Med Chem 63: 433-439 (2020) Article DOI: 10.1021/acs.jmedchem.9b01465 BindingDB Entry DOI: 10.7270/Q2P55RW6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30142 (alpha-sulfone piperidine hydroxamate, 11e) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccccc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C30H29N3O6S/c1-21-19-23(26-9-5-6-10-27(26)31-21)20-39-24-11-13-25(14-12-24)40(37,38)30(29(35)32-36)15-17-33(18-16-30)28(34)22-7-3-2-4-8-22/h2-14,19,36H,15-18,20H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30138 (alpha-sulfone piperidine hydroxamate, 11c) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C25H27N3O6S/c1-17-15-19(22-5-3-4-6-23(22)26-17)16-34-20-7-9-21(10-8-20)35(32,33)25(24(30)27-31)11-13-28(14-12-25)18(2)29/h3-10,15,31H,11-14,16H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30136 (CHEMBL385821 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCNCC1)C(=O)NO Show InChI InChI=1S/C17H22N2O5S/c1-2-3-12-24-14-4-6-15(7-5-14)25(22,23)13-17(16(20)19-21)8-10-18-11-9-17/h4-7,18,21H,8-13H2,1H3,(H,19,20)	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	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30146 (alpha-sulfone piperidine hydroxamate, 11g) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C28H33N3O7S/c1-19-17-20(23-7-5-6-8-24(23)29-19)18-37-21-9-11-22(12-10-21)39(35,36)28(25(32)30-34)13-15-31(16-14-28)26(33)38-27(2,3)4/h5-12,17,34H,13-16,18H2,1-4H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30144 (CHEMBL212481 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C24H26N2O6S/c1-2-3-17-32-20-9-11-21(12-10-20)33(30,31)18-24(23(28)25-29)13-15-26(16-14-24)22(27)19-7-5-4-6-8-19/h4-12,29H,13-18H2,1H3,(H,25,28)	PDB MMDB 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	1	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30154 (alpha-sulfone piperidine hydroxamate, 11m) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H27N3O7S2/c1-17-15-18(21-5-3-4-6-22(21)25-17)16-34-19-7-9-20(10-8-19)36(32,33)24(23(28)26-29)11-13-27(14-12-24)35(2,30)31/h3-10,15,29H,11-14,16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50293788 (CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31| Show InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine				J Med Chem 52: 4400-18 (2009) Article DOI: 10.1021/jm900305z BindingDB Entry DOI: 10.7270/Q2CC10QM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23501 (BMCL193445 Compound 2d | beta-sulfonyl hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C22H30N2O7S/c1-5-6-15-30-17-7-9-18(10-8-17)32(28,29)16-22(19(25)23-27)11-13-24(14-12-22)20(26)31-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30140 (CHEMBL380049 | beta-sulfone piperidine hydroxamate...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)	PDB MMDB 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	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30145 (alpha-sulfone piperidine hydroxamate, 11f) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccncc2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H28N4O6S/c1-20-18-22(25-4-2-3-5-26(25)31-20)19-39-23-6-8-24(9-7-23)40(37,38)29(28(35)32-36)12-16-33(17-13-29)27(34)21-10-14-30-15-11-21/h2-11,14-15,18,36H,12-13,16-17,19H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30137 (alpha-sulfone piperidine hydroxamate, 11b) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C=O)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O6S/c1-17-14-18(21-4-2-3-5-22(21)25-17)15-33-19-6-8-20(9-7-19)34(31,32)24(23(29)26-30)10-12-27(16-28)13-11-24/h2-9,14,16,30H,10-13,15H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30148 (alpha-sulfone piperidine hydroxamate, 11h) Show SMILES CCNC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H30N4O6S/c1-3-27-25(32)30-14-12-26(13-15-30,24(31)29-33)37(34,35)21-10-8-20(9-11-21)36-17-19-16-18(2)28-23-7-5-4-6-22(19)23/h4-11,16,33H,3,12-15,17H2,1-2H3,(H,27,32)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30149 (alpha-sulfone piperidine hydroxamate, 11i) Show SMILES CCN(CC)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H34N4O6S/c1-4-31(5-2)27(34)32-16-14-28(15-17-32,26(33)30-35)39(36,37)23-12-10-22(11-13-23)38-19-21-18-20(3)29-25-9-7-6-8-24(21)25/h6-13,18,35H,4-5,14-17,19H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30151 (alpha-sulfone piperidine hydroxamate, 11k) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccncc3)CC2)C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C29H30N4O5S/c1-21-18-23(26-4-2-3-5-27(26)31-21)20-38-24-6-8-25(9-7-24)39(36,37)29(28(34)32-35)12-16-33(17-13-29)19-22-10-14-30-15-11-22/h2-11,14-15,18,35H,12-13,16-17,19-20H2,1H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30155 (alpha-sulfone piperidine hydroxamate, 11n) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H31N3O7S2/c1-18(2)38(34,35)29-14-12-26(13-15-29,25(30)28-31)37(32,33)22-10-8-21(9-11-22)36-17-20-16-19(3)27-24-7-5-4-6-23(20)24/h4-11,16,18,31H,12-15,17H2,1-3H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30150 (alpha-sulfone piperidine hydroxamate, 11j) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C24H27N3O5S/c1-17-15-18(21-5-3-4-6-22(21)25-17)16-32-19-7-9-20(10-8-19)33(30,31)24(23(28)26-29)11-13-27(2)14-12-24/h3-10,15,29H,11-14,16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2008 (10-ethyl-14-methyl-9-oxo-2-oxa-4,10-diazatricyclo[...) Show SMILES CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2C#N Show InChI InChI=1S/C16H13N3O2/c1-3-19-14-11(9-17)7-10(2)8-13(14)21-15-12(16(19)20)5-4-6-18-15/h4-8H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 35: 1887-97 (1992) Article DOI: 10.1021/jm00088a027 BindingDB Entry DOI: 10.7270/Q2ST7N0J
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM1987 (13-amino-5,7,9-trimethyl-2-oxa-9-azatricyclo[9.4.0...) Show SMILES CN1c2c(C)cc(C)cc2Oc2ccc(N)cc2C1=O Show InChI InChI=1S/C16H16N2O2/c1-9-6-10(2)15-14(7-9)20-13-5-4-11(17)8-12(13)16(19)18(15)3/h4-8H,17H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 35: 1887-97 (1992) Article DOI: 10.1021/jm00088a027 BindingDB Entry DOI: 10.7270/Q2ST7N0J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 269 total )  |  Next  |  Last  >>

Jump to: