Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'jameison' and Initial = 'fa'   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50279824 ((S)-1-((R)-3,3,3-Trifluoro-2-mercaptomethyl-propio...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)C(F)(F)F Show InChI InChI=1S/C9H12F3NO3S/c10-9(11,12)5(4-17)7(14)13-3-1-2-6(13)8(15)16/h5-6,17H,1-4H2,(H,15,16)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base				Bioorg Med Chem Lett 1: 581-584 (1991) Article DOI: 10.1016/S0960-894X(01)81155-0 BindingDB Entry DOI: 10.7270/Q2GF0TZX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50280346 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin mu receptor using [3H]-PL-017 as ligand in rat cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin delta receptor using [3H]-DPDPE as ligand in rat cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin mu receptor using [3H]-PL-017 as ligand in rat cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50280346 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin delta receptor using [3H]-DPDPE as ligand in rat cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base. (reported from ref. 1b)				Bioorg Med Chem Lett 1: 581-584 (1991) Article DOI: 10.1016/S0960-894X(01)81155-0 BindingDB Entry DOI: 10.7270/Q2GF0TZX
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base				Bioorg Med Chem Lett 1: 581-584 (1991) Article DOI: 10.1016/S0960-894X(01)81155-0 BindingDB Entry DOI: 10.7270/Q2GF0TZX
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base				Bioorg Med Chem Lett 1: 581-584 (1991) Article DOI: 10.1016/S0960-894X(01)81155-0 BindingDB Entry DOI: 10.7270/Q2GF0TZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50280346 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23-,24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin kappa receptor using [3H]-U-69,593 as ligand in guinea pig cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50279823 ((S)-1-((S)-3,3,3-Trifluoro-2-mercaptomethyl-propio...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)C(F)(F)F Show InChI InChI=1S/C9H12F3NO3S/c10-9(11,12)5(4-17)7(14)13-3-1-2-6(13)8(15)16/h5-6,17H,1-4H2,(H,15,16)/t5-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base				Bioorg Med Chem Lett 1: 581-584 (1991) Article DOI: 10.1016/S0960-894X(01)81155-0 BindingDB Entry DOI: 10.7270/Q2GF0TZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin kappa receptor using [3H]-U-69,593 as ligand in guinea pig cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
					More data for this Ligand-Target Pair