Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'mcquaid' and Initial = 'la'   

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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001265 (3-(4-Amino-phenyl)-5,7-dichloro-4-hydroxy-1H-quino...) Show SMILES Nc1ccc(cc1)-c1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C15H10Cl2N2O2/c16-8-5-10(17)13-11(6-8)19-15(21)12(14(13)20)7-1-3-9(18)4-2-7/h1-6H,18H2,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.				J Med Chem 35: 3423-5 (1992) BindingDB Entry DOI: 10.7270/Q2RR1X68
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001266 (5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...) Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.				J Med Chem 35: 3423-5 (1992) BindingDB Entry DOI: 10.7270/Q2RR1X68
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001266 (5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...) Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001266 (5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...) Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM22778 (6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | 6...) Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001264 (5,7-Dichloro-4-hydroxy-3-p-tolyl-1H-quinolin-2-one...) Show SMILES Cc1ccc(cc1)-c1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C16H11Cl2NO2/c1-8-2-4-9(5-3-8)13-15(20)14-11(18)6-10(17)7-12(14)19-16(13)21/h2-7H,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.				J Med Chem 35: 3423-5 (1992) BindingDB Entry DOI: 10.7270/Q2RR1X68
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50129080 (3-Carboxymethyl-4,6-dichloro-1H-indole-2-carboxyli...) Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O Show InChI InChI=1S/C11H7Cl2NO4/c12-4-1-6(13)9-5(3-8(15)16)10(11(17)18)14-7(9)2-4/h1-2,14H,3H2,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002707 (7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4...) Show SMILES Clc1cc2[nH]c(=O)c3nncn3c2cc1Cl Show InChI InChI=1S/C9H4Cl2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50280807 (3-Carboxymethyl-5,7-dichloro-4-oxo-1,4-dihydro-qui...) Show SMILES OC(=O)Cc1c(O)c2c(Cl)cc(Cl)cc2nc1C(O)=O Show InChI InChI=1S/C12H7Cl2NO5/c13-4-1-6(14)9-7(2-4)15-10(12(19)20)5(11(9)18)3-8(16)17/h1-2H,3H2,(H,15,18)(H,16,17)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001268 (5,7-Dichloro-4-hydroxy-3-(4-nitro-phenyl)-1H-quino...) Show SMILES Oc1c(-c2ccc(cc2)[N+]([O-])=O)c(=O)[nH]c2cc(Cl)cc(Cl)c12 Show InChI InChI=1S/C15H8Cl2N2O4/c16-8-5-10(17)13-11(6-8)18-15(21)12(14(13)20)7-1-3-9(4-2-7)19(22)23/h1-6H,(H2,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.				J Med Chem 35: 3423-5 (1992) BindingDB Entry DOI: 10.7270/Q2RR1X68
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004960 (4,6-Dichloro-1H-indole-2-carboxylic acid | CHEMBL3...) Show SMILES OC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 Show InChI InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002696 (7,8-Dichloro-5H-imidazo[1,2-a]quinoxalin-4-one | C...) Show SMILES Clc1cc2[nH]c(=O)c3nccn3c2cc1Cl Show InChI InChI=1S/C10H5Cl2N3O/c11-5-3-7-8(4-6(5)12)15-2-1-13-9(15)10(16)14-7/h1-4H,(H,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002700 (1-Butyl-7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quin...) Show SMILES CCCCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O Show InChI InChI=1S/C13H12Cl2N4O/c1-2-3-4-11-17-18-12-13(20)16-9-5-7(14)8(15)6-10(9)19(11)12/h5-6H,2-4H2,1H3,(H,16,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002710 (7,9-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4...) Show SMILES Clc1cc(Cl)c2c(c1)[nH]c(=O)c1nncn21 Show InChI InChI=1S/C9H4Cl2N4O/c10-4-1-5(11)7-6(2-4)13-9(16)8-14-12-3-15(7)8/h1-3H,(H,13,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002701 (7,8-Dichloro-1-propyl-5H-[1,2,4]triazolo[4,3-a]qui...) Show SMILES CCCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O Show InChI InChI=1S/C12H10Cl2N4O/c1-2-3-10-16-17-11-12(19)15-8-4-6(13)7(14)5-9(8)18(10)11/h4-5H,2-3H2,1H3,(H,15,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50001260 (3-phenyl-4-hydroxyquinolin-2(1H)-one | 4-Hydroxy-3...) Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.				J Med Chem 35: 3423-5 (1992) BindingDB Entry DOI: 10.7270/Q2RR1X68
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002711 (7,8-Dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quin...) Show SMILES CCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O Show InChI InChI=1S/C11H8Cl2N4O/c1-2-9-15-16-10-11(18)14-7-3-5(12)6(13)4-8(7)17(9)10/h3-4H,2H2,1H3,(H,14,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50009092 (3-Carboxymethyl-1H-indole-2-carboxylic acid | CHEM...) Show SMILES OC(=O)Cc1c([nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C11H9NO4/c13-9(14)5-7-6-3-1-2-4-8(6)12-10(7)11(15)16/h1-4,12H,5H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	5.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM81975 (4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...) Show SMILES OC(=O)c1cc(O)c2ccccc2n1 Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM81975 (4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...) Show SMILES OC(=O)c1cc(O)c2ccccc2n1 Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to displace strychnine-insensitive [3H]-glycine binding to rat cortical membranes.				J Med Chem 35: 3423-5 (1992) BindingDB Entry DOI: 10.7270/Q2RR1X68
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50280805 (3-(2-Carboxy-ethyl)-5,7-dichloro-4-oxo-1,4-dihydro...) Show SMILES OC(=O)CCc1c(O)c2c(Cl)cc(Cl)cc2nc1C(O)=O Show InChI InChI=1S/C13H9Cl2NO5/c14-5-3-7(15)10-8(4-5)16-11(13(20)21)6(12(10)19)1-2-9(17)18/h3-4H,1-2H2,(H,16,19)(H,17,18)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	7.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002704 (7-Nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one ...) Show SMILES [O-][N+](=O)c1ccc2c(c1)[nH]c(=O)c1nncn21 Show InChI InChI=1S/C9H5N5O3/c15-9-8-12-10-4-13(8)7-2-1-5(14(16)17)3-6(7)11-9/h1-4H,(H,11,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002705 (8-Chloro-6H-pyrazolo[1,5-c]quinazolin-5-one | CHEM...) Show SMILES Clc1ccc2c3ccnn3c(=O)[nH]c2c1 Show InChI InChI=1S/C10H6ClN3O/c11-6-1-2-7-8(5-6)13-10(15)14-9(7)3-4-12-14/h1-5H,(H,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002706 (7,8-Dichloro-1-phenyl-5H-[1,2,4]triazolo[4,3-a]qui...) Show SMILES Clc1cc2[nH]c(=O)c3nnc(-c4ccccc4)n3c2cc1Cl Show InChI InChI=1S/C15H8Cl2N4O/c16-9-6-11-12(7-10(9)17)21-13(8-4-2-1-3-5-8)19-20-14(21)15(22)18-11/h1-7H,(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002703 (7,8-Dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]qui...) Show SMILES Cc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O Show InChI InChI=1S/C10H6Cl2N4O/c1-4-14-15-9-10(17)13-7-2-5(11)6(12)3-8(7)16(4)9/h2-3H,1H3,(H,13,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002699 (7,8-Difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4...) Show SMILES Fc1cc2[nH]c(=O)c3nncn3c2cc1F Show InChI InChI=1S/C9H4F2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002702 (7,8-Dichloro-1-trifluoromethyl-5H-[1,2,4]triazolo[...) Show SMILES FC(F)(F)c1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O Show InChI InChI=1S/C10H3Cl2F3N4O/c11-3-1-5-6(2-4(3)12)19-7(8(20)16-5)17-18-9(19)10(13,14)15/h1-2H,(H,16,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002712 (8-Nitro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphth...) Show SMILES [O-][N+](=O)c1ccc2[n-]c(=[OH+])c3nnnn3c2c1 Show InChI InChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-3-4(14(16)17)1-2-5(6)9-8/h1-3H,(H,9,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002695 (7,8-Dichloro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]n...) Show SMILES Clc1cc2[nH]c(=O)c3nnnn3c2cc1Cl Show InChI InChI=1S/C8H3Cl2N5O/c9-3-1-5-6(2-4(3)10)15-7(8(16)11-5)12-13-14-15/h1-2H,(H,11,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002708 (7-Nitro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphth...) Show SMILES [O-][N+](=O)c1ccc2c(c1)[nH]c(=O)c1nnnn21 Show InChI InChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-2-1-4(14(16)17)3-5(6)9-8/h1-3H,(H,9,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002709 (8,9-Dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one | ...) Show SMILES Clc1cc2[nH]c(=O)n3nccc3c2cc1Cl Show InChI InChI=1S/C10H5Cl2N3O/c11-6-3-5-8(4-7(6)12)14-10(16)15-9(5)1-2-13-15/h1-4H,(H,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]glycine from glycine site on the NMDA receptor.				J Med Chem 35: 3319-24 (1992) BindingDB Entry DOI: 10.7270/Q2WM1F13
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50280806 (3-Carboxymethyl-4-oxo-1,4-dihydro-quinoline-2-carb...) Show SMILES OC(=O)Cc1c(O)c2ccccc2nc1C(O)=O Show InChI InChI=1S/C12H9NO5/c14-9(15)5-7-10(12(17)18)13-8-4-2-1-3-6(8)11(7)16/h1-4H,5H2,(H,13,16)(H,14,15)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50009085 (3-Carboxymethyl-quinoline-2-carboxylic acid | CHEM...) Show SMILES OC(=O)Cc1cc2ccccc2nc1C(O)=O Show InChI InChI=1S/C12H9NO4/c14-10(15)6-8-5-7-3-1-2-4-9(7)13-11(8)12(16)17/h1-5H,6H2,(H,14,15)(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017543 ((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand				J Med Chem 32: 2388-96 (1989) BindingDB Entry DOI: 10.7270/Q2445KGF
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070046 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-14-13-25(29)28(2)24(26)12-10-20-15-18(9-11-22(20)26)7-8-19-16-21-5-3-4-6-23(21)27-17-19/h3-9,11,15-17,24H,10,12-14H2,1-2H3/b8-7+/t24-,26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070049 ((4aR,10bR)-4,10b-Dimethyl-8-((Z)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C/c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8-/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50032762 ((4aR,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...) Show SMILES CN1C2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50368782 (Bexlosteride | CHEMBL24955 | LY-191704) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50031890 ((10R,13S)-17-tert-Butylcarbamoyl-10,13-dimethyl-2,...) Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)C(O)=O |r,c:25,t:23| Show InChI InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH)				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH).				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044878 (4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]q...) Show SMILES CN1[C@@H]2CCc3cc(C)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044879 ((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070054 ((4aR,10bR)-4,10b-Dimethyl-8-phenylethynyl-1,4,4a,5...) Show SMILES CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)C#Cc1ccccc1 Show InChI InChI=1S/C23H23NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-7,10,12,16,21H,11,13-15H2,1-2H3/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044881 (8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]qu...) Show SMILES CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21 |c:6| Show InChI InChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.				J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50070044 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-2-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccc5ccccc5n4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-16-15-25(29)28(2)24(26)14-10-20-17-18(8-13-22(20)26)7-11-21-12-9-19-5-3-4-6-23(19)27-21/h3-9,11-13,17,24H,10,14-16H2,1-2H3/b11-7+/t24-,26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044879 ((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50403176 (CHEMBL279420) Show SMILES CN1C(=O)CCC2=C1CCc1cc(C)ccc21 |c:6| Show InChI InChI=1S/C15H17NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9H,4,6-8H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50044878 (4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]q...) Show SMILES CN1[C@@H]2CCc3cc(C)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/t13-,14-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells				Bioorg Med Chem Lett 3: 1157-1162 (1993) Article DOI: 10.1016/S0960-894X(00)80306-6 BindingDB Entry DOI: 10.7270/Q2VD70NP
					More data for this Ligand-Target Pair

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