Compile Data Set for Download or QSAR

Found 701 hits with Last Name = 'woodward' and Initial = 'r'   

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
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141067 (3-[4-(2,4-Difluoro-phenoxy)-phenyl]-pyrazole-1-car...) Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C16H11F2N3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141062 (3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...) Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H12FN3O2/c17-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-9-10-20(19-15)16(18)21/h1-10H,(H2,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141070 (3-[4-(4-Nitro-phenoxy)-phenyl]-pyrazole-1-carboxyl...) Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H12N4O4/c17-16(21)19-10-9-15(18-19)11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)20(22)23/h1-10H,(H2,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141072 (3-(4-Phenoxy-phenyl)-pyrazole-1-carboxylic acid am...) Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H13N3O2/c17-16(20)19-11-10-15(18-19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H2,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141065 (3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...) Show SMILES CNC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H14FN3O2/c1-19-17(22)21-11-10-16(20-21)12-2-6-14(7-3-12)23-15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141073 ((E)-2-(4-(4-fluorophenoxy)benzylidene)hydrazinecar...) Show SMILES NC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1 |w:5.5| Show InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141066 (3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole | CHEM...) Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc[nH]n2)cc1 Show InChI InChI=1S/C15H11FN2O/c16-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)15-9-10-17-18-15/h1-10H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141064 (3-(4-Phenoxy-phenyl)-1H-pyrazole | CHEMBL41864) Show SMILES O(c1ccccc1)c1ccc(cc1)-c1cc[nH]n1 Show InChI InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141071 (3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...) Show SMILES CN(C)C(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H16FN3O2/c1-21(2)18(23)22-12-11-17(20-22)13-3-7-15(8-4-13)24-16-9-5-14(19)6-10-16/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141069 (3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazo...) Show SMILES Cn1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H13FN2O/c1-19-11-10-16(18-19)12-2-6-14(7-3-12)20-15-8-4-13(17)5-9-15/h2-11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50031299 (6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...) Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50003655 (Phenytoin) Show SMILES O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50003659 (5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...) Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11| Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50078831 (3-Phenyl-1H-pyrazole | CHEMBL38876) Show SMILES c1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Sodium channel protein type 4 subunit alpha (Homo sapiens (Human))	BDBM50141063 (3-(4-Methoxy-phenyl)-1H-pyrazole | CHEMBL39210) Show SMILES COc1ccc(cc1)-c1cc[nH]n1 Show InChI InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells				J Med Chem 47: 1547-52 (2004) Article DOI: 10.1021/jm030498q BindingDB Entry DOI: 10.7270/Q2SX6F0Q
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50450704 (CHEMBL560895 | SNX-2112) Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50450704 (CHEMBL560895 | SNX-2112) Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| Show InChI InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB 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
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056605 (7-Chloro-6-methyl-5-nitro-1,4-dihydro-quinoxaline-...) Show SMILES Cc1c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O Show InChI InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091637 (5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...) Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50038161 (6,7-Dichloro-3-hydroxy-5-nitro-3,4-dihydro-1H-quin...) Show SMILES [O-][N+](=O)c1c(Cl)c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c12 Show InChI InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091635 (5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...) Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052635 (5,6,7-Trichloro-1H-quinoline-2,3,4-trione 3-oxime ...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)c(Cl)c(Cl)c12 Show InChI InChI=1S/C9H3Cl3N2O3/c10-2-1-3-4(6(12)5(2)11)8(15)7(14-17)9(16)13-3/h1H,(H2,13,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes				J Med Chem 39: 3248-55 (1996) Article DOI: 10.1021/jm960214k BindingDB Entry DOI: 10.7270/Q2QC02KC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50480378 (CHEMBL563608) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB 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
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50066544 (4-[2-(5-Phenyl-pentylamino)-ethyl]-phenol | CHEMBL...) Show SMILES Oc1ccc(CCNCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Oregon Curated by ChEMBL					Assay Description Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor				J Med Chem 41: 3499-506 (1998) Article DOI: 10.1021/jm980235+ BindingDB Entry DOI: 10.7270/Q29Z95MM
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091636 (5-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...) Show SMILES Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 Show InChI InChI=1S/C22H22FN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056596 (7-Bromo-6-methyl-5-nitro-1,4-dihydro-quinoxaline-2...) Show SMILES Cc1c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c2c1[N+]([O-])=O Show InChI InChI=1S/C9H6BrN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50080029 (4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...) Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50080029 (4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...) Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonist activity against rat 1A/2B subtype of N-methyl-D-aspartate(NMDA) receptor in xenopus oocytes.				Bioorg Med Chem Lett 9: 1619-24 (1999) BindingDB Entry DOI: 10.7270/Q29022ZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50369783 (CHEMBL1203902) Show SMILES Oc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1 |t:8| Show InChI InChI=1S/C21H25NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13,23H,4-5,8,14-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD 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
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50480379 (CHEMBL553939 | SNX-5422) Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-;	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085922 (4-(4-Hydroxy-phenyl)-1-(4-phenyl-butyl)-piperidin-...) Show SMILES Oc1ccc(cc1)C1(O)CCN(CCCCc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c23-20-11-9-19(10-12-20)21(24)13-16-22(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,23-24H,4-5,8,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50052629 (6,7-Dichloro-1H-quinoline-2,3,4-trione 3-oxime | C...) Show SMILES Oc1c(N=O)c(=O)[nH]c2cc(Cl)c(Cl)cc12 Show InChI InChI=1S/C9H4Cl2N2O3/c10-4-1-3-6(2-5(4)11)12-9(15)7(13-16)8(3)14/h1-2H,(H2,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes				J Med Chem 39: 3248-55 (1996) Article DOI: 10.1021/jm960214k BindingDB Entry DOI: 10.7270/Q2QC02KC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50480379 (CHEMBL553939 | SNX-5422) Show SMILES CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)| Show InChI InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-;	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50480378 (CHEMBL563608) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50066538 (4-[3-(4-Phenyl-butylamino)-propyl]-phenol | CHEMBL...) Show SMILES Oc1ccc(CCCNCCCCc2ccccc2)cc1 Show InChI InChI=1S/C19H25NO/c21-19-13-11-18(12-14-19)10-6-16-20-15-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,11-14,20-21H,4-6,9-10,15-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor				J Med Chem 41: 3499-506 (1998) Article DOI: 10.1021/jm980235+ BindingDB Entry DOI: 10.7270/Q29Z95MM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365264 (CHEMBL1738926) Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis				J Med Chem 54: 3827-38 (2011) Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091647 (5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-di...) Show SMILES S=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H23N3S/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50480378 (CHEMBL563608) Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)| Show InChI InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085933 (4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...) Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1 Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091632 (5-{3-[4-(4-Methyl-benzyl)-piperidin-1-yl]-prop-1-y...) Show SMILES Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 Show InChI InChI=1S/C23H25N3O/c1-17-4-6-19(7-5-17)15-20-10-13-26(14-11-20)12-2-3-18-8-9-21-22(16-18)25-23(27)24-21/h4-9,16,20H,10-15H2,1H3,(H2,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50369786 (CHEMBL1201889) Show SMILES Oc1ccc(cc1)C1CCN(CCOCc2ccccc2)CC1 Show InChI InChI=1S/C20H25NO2/c22-20-8-6-18(7-9-20)19-10-12-21(13-11-19)14-15-23-16-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50085927 (4-[1-(2-Hydroxy-4-phenyl-butyl)-piperidin-4-yl]-ph...) Show SMILES OC(CCc1ccccc1)CN1CCC(CC1)c1ccc(O)cc1 Show InChI InChI=1S/C21H27NO2/c23-20-10-7-18(8-11-20)19-12-14-22(15-13-19)16-21(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,19,21,23-24H,6,9,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091626 (5-[3-(4-Benzyl-4-hydroxy-piperidin-1-yl)-prop-1-yn...) Show SMILES OC1(Cc2ccccc2)CCN(CC#Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C22H23N3O2/c26-21-23-19-9-8-17(15-20(19)24-21)7-4-12-25-13-10-22(27,11-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,10-14,16H2,(H2,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50091643 (5-{3-[4-(4-Chloro-benzyl)-piperidin-1-yl]-prop-1-y...) Show SMILES Clc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 Show InChI InChI=1S/C22H22ClN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50066538 (4-[3-(4-Phenyl-butylamino)-propyl]-phenol | CHEMBL...) Show SMILES Oc1ccc(CCCNCCCCc2ccccc2)cc1 Show InChI InChI=1S/C19H25NO/c21-19-13-11-18(12-14-19)10-6-16-20-15-5-4-9-17-7-2-1-3-8-17/h1-3,7-8,11-14,20-21H,4-6,9-10,15-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonist activity against rat 1A/2B subtype of N-methyl-D-aspartate(NMDA) receptor in xenopus oocytes.				Bioorg Med Chem Lett 9: 1619-24 (1999) BindingDB Entry DOI: 10.7270/Q29022ZJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50056618 (6,7-Dibromo-5-nitro-1,4-dihydro-quinoxaline-2,3-di...) Show SMILES [O-][N+](=O)c1c(Br)c(Br)cc2[n-]c(=[OH+])c(=O)[nH]c12 Show InChI InChI=1S/C8H3Br2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys Inc. Curated by ChEMBL					Assay Description Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain ...				J Med Chem 40: 730-8 (1997) Article DOI: 10.1021/jm960654b BindingDB Entry DOI: 10.7270/Q2NZ86RJ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM50369791 (CHEMBL1202296) Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,23H,4-5,8,13-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.				J Med Chem 43: 984-94 (2000) BindingDB Entry DOI: 10.7270/Q20G3KVT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 701 total )  |  Next  |  Last  >>

Jump to: