Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'kumagai' and Initial = 't'   

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
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50094843 ((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...) Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50094843 ((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...) Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50279772 (2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cy...) Show SMILES N[C@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	3.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50279772 (2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cy...) Show SMILES N[C@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	4.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50074456 (CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...) Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM85397 (CRA1000) Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14| Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	15.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM85398 (CRA1001) Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14| Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM85397 (CRA1000) Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14| Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	20.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50074456 (CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...) Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM85398 (CRA1001) Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14| Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	22.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50094842 ((+)-2-Amino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dica...) Show SMILES N[C@]1(CC[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H10FNO4/c9-8(6(13)14)3-1-2-7(10,4(3)8)5(11)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,7+,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50056272 ((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...) Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	23.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50094842 ((+)-2-Amino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dica...) Show SMILES N[C@]1(CC[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H10FNO4/c9-8(6(13)14)3-1-2-7(10,4(3)8)5(11)12/h3-4H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,7+,8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50094841 ((+)-2-Amino-3-fluoro-bicyclo[3.1.0]hexane-2,6-dica...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O Show InChI InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50056272 ((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...) Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	53.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50094841 ((+)-2-Amino-3-fluoro-bicyclo[3.1.0]hexane-2,6-dica...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O Show InChI InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	65.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand				J Med Chem 43: 4893-909 (2000) BindingDB Entry DOI: 10.7270/Q24J0DC8
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (RAT)	BDBM85397 (CRA1000) Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14| Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (RAT)	BDBM85398 (CRA1001) Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14| Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (RAT)	BDBM50074456 (CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...) Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3	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
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 2 (RAT)	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 926-35 (1999) BindingDB Entry DOI: 10.7270/Q2GM85VG
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191377 ((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081380 (CHEMBL553962 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC Show InChI InChI=1S/C25H37NO2/c1-4-6-8-13-23(26-17-5-2)19-22-14-15-24(27-3)25(20-22)28-18-16-21-11-9-7-10-12-21/h7,9-12,14-15,20,23,26H,4-6,8,13,16-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081366 (CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191381 ((5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17| Show InChI InChI=1S/C22H20N2O4S2/c1-28-15-4-2-13(3-5-15)10-23-7-6-19-14(11-23)8-16(30-19)9-17-20(25)24-18(22(26)27)12-29-21(17)24/h2-5,8-9,12,21H,6-7,10-11H2,1H3,(H,26,27)/p-1/b17-9-/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191386 ((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081369 (CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...) Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191377 ((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191386 ((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191387 ((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...) Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191385 ((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081371 (CHEMBL128799 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCNC(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C23H33NO2/c1-4-9-21(24-15-5-2)17-20-12-13-22(25-3)23(18-20)26-16-14-19-10-7-6-8-11-19/h6-8,10-13,18,21,24H,4-5,9,14-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191380 (CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetr...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-5-16-2-1-14-4-10(16)15-7/h3,5-6,12,14H,1-2,4H2,(H,19,20)/p-1/b8-3+/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191388 ((5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)4-7-5-10-15(14-7)2-1-3-20-10/h4-6,12H,1-3H2,(H,18,19)/p-1/b8-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50081375 (CHEMBL128717 | [1-(4-Methoxy-3-phenethyloxy-benzyl...) Show SMILES CCCN(CCC)C(CC)Cc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26(17-6-2)23(7-3)19-22-13-14-24(27-4)25(20-22)28-18-15-21-11-9-8-10-12-21/h8-14,20,23H,5-7,15-19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.				J Med Chem 42: 3965-70 (1999) BindingDB Entry DOI: 10.7270/Q2PR7WQ7
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191388 ((5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)4-7-5-10-15(14-7)2-1-3-20-10/h4-6,12H,1-3H2,(H,18,19)/p-1/b8-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191380 (CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetr...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-5-16-2-1-14-4-10(16)15-7/h3,5-6,12,14H,1-2,4H2,(H,19,20)/p-1/b8-3+/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191387 ((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...) Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191385 ((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair

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