Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'geldenhuys' and Initial = 'wj'   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074789 (3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-...) Show SMILES CC[C@@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H23N3O/c1-2-20(17-11-5-3-6-12-17)28-25(29)22-19-15-9-10-16-21(19)27-24(23(22)26)18-13-7-4-8-14-18/h3-16,20H,2,26H2,1H3,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074819 (3-Hydroxy-2-phenyl-quinoline-4-carboxylic acid (1-...) Show SMILES CCC(NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412944 (CHEMBL479652) Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H22FN3O/c27-19-10-6-9-18(15-19)24(17-13-14-17)30-26(31)22-20-11-4-5-12-21(20)29-25(23(22)28)16-7-2-1-3-8-16/h1-12,15,17,24H,13-14,28H2,(H,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412945 (CHEMBL516441) Show SMILES CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)-c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C25H22FN3O/c1-2-20(16-9-4-3-5-10-16)29-25(30)22-19-13-6-7-14-21(19)28-24(23(22)27)17-11-8-12-18(26)15-17/h3-15,20H,2,27H2,1H3,(H,29,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412946 (CHEMBL517691) Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1F)-c1ccccc1 |r| Show InChI InChI=1S/C26H22FN3O/c27-20-12-6-4-10-18(20)24(17-14-15-17)30-26(31)22-19-11-5-7-13-21(19)29-25(23(22)28)16-8-2-1-3-9-16/h1-13,17,24H,14-15,28H2,(H,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412947 (5-(3-METHYL-1-TRIAZENO)IMIDAZOLE-4-CARBOXAMIDE) Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198889 (CHEMBL3979616) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C/c1ccccc1O Show InChI InChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412949 (CHEMBL519790) Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C26H21F2N3O/c27-18-7-3-5-16(13-18)24(15-11-12-15)31-26(32)22-20-9-1-2-10-21(20)30-25(23(22)29)17-6-4-8-19(28)14-17/h1-10,13-15,24H,11-12,29H2,(H,31,32)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074776 (3-Ethyl-2-phenyl-quinoline-4-carboxylic acid ((R)-...) Show SMILES CC[C@@H](NC(=O)c1c(CC)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H26N2O/c1-3-21-25(27(30)29-23(4-2)19-13-7-5-8-14-19)22-17-11-12-18-24(22)28-26(21)20-15-9-6-10-16-20/h5-18,23H,3-4H2,1-2H3,(H,29,30)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074774 (3-Methoxy-2-phenyl-quinoline-4-carboxylic acid ((R...) Show SMILES CC[C@@H](NC(=O)c1c(OC)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24N2O2/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)30-2)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074805 (3-Ethyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...) Show SMILES CCC(NC(=O)c1c(CC)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H26N2O/c1-3-21-25(27(30)29-23(4-2)19-13-7-5-8-14-19)22-17-11-12-18-24(22)28-26(21)20-15-9-6-10-16-20/h5-18,23H,3-4H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074814 (3-Methoxy-2-phenyl-quinoline-4-carboxylic acid (1-...) Show SMILES CCC(NC(=O)c1c(OC)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24N2O2/c1-3-21(18-12-6-4-7-13-18)28-26(29)23-20-16-10-11-17-22(20)27-24(25(23)30-2)19-14-8-5-9-15-19/h4-17,21H,3H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412950 (CHEMBL479450) Show SMILES CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22FN3O/c1-2-20(16-8-4-3-5-9-16)29-25(30)22-19-10-6-7-11-21(19)28-24(23(22)27)17-12-14-18(26)15-13-17/h3-15,20H,2,27H2,1H3,(H,29,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50401370 (CHEMBL2205821) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50412938 (CHEMBL520086) Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@H](C1CC1)c1ccccc1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C26H22FN3O/c27-19-10-6-9-18(15-19)25-23(28)22(20-11-4-5-12-21(20)29-25)26(31)30-24(17-13-14-17)16-7-2-1-3-8-16/h1-12,15,17,24H,13-14,28H2,(H,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430259 (CHEMBL2332494) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc(Br)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9| Show InChI InChI=1S/C19H20BrNO/c20-9-3-1-8(2-4-9)5-6-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-4,10-18,22H,5-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430257 (CHEMBL2332492) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc(Cl)c(Cl)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9| Show InChI InChI=1S/C19H19Cl2NO/c20-10-2-1-7(5-11(10)21)3-4-22-18-14-8-6-9-13-12(8)15(18)17(13)19(22,23)16(9)14/h1-2,5,8-9,12-18,23H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50305342 (4-(3'-Fluorophenethyl)-4-azahexacyclo[5.4.1.02,6.0...) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Rattus norvegicus)	BDBM50323515 (CHEMBL1209714 | Hemicholinium) Show SMILES C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)-c1ccc(cc1)[C@@]1(O)C[N+](C)(C)CCO1 |r| Show InChI InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Binding affinity to rat choline transporter 1				Bioorg Med Chem Lett 20: 4870-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.090 BindingDB Entry DOI: 10.7270/Q29C6XMQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051295 ((S)-3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-...) Show SMILES CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074792 (2-Phenyl-3-propyl-quinoline-4-carboxylic acid (1-p...) Show SMILES CCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H28N2O/c1-3-13-23-26(28(31)30-24(4-2)20-14-7-5-8-15-20)22-18-11-12-19-25(22)29-27(23)21-16-9-6-10-17-21/h5-12,14-19,24H,3-4,13H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074792 (2-Phenyl-3-propyl-quinoline-4-carboxylic acid (1-p...) Show SMILES CCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H28N2O/c1-3-13-23-26(28(31)30-24(4-2)20-14-7-5-8-15-20)22-18-11-12-19-25(22)29-27(23)21-16-9-6-10-17-21/h5-12,14-19,24H,3-4,13H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074802 (3-Butyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...) Show SMILES CCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O/c1-3-5-18-24-27(29(32)31-25(4-2)21-14-8-6-9-15-21)23-19-12-13-20-26(23)30-28(24)22-16-10-7-11-17-22/h6-17,19-20,25H,3-5,18H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074802 (3-Butyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...) Show SMILES CCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O/c1-3-5-18-24-27(29(32)31-25(4-2)21-14-8-6-9-15-21)23-19-12-13-20-26(23)30-28(24)22-16-10-7-11-17-22/h6-17,19-20,25H,3-5,18H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50288953 (11'N-(3-bromobenzyl)spiro[dihydro[1,3]dioxolane-2,...) Show SMILES Brc1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1 |TLB:13:18:11.10:20,8:22:11.10:20,THB:12:11:18.22:20,9:10:18.22:20| Show InChI InChI=1S/C20H22BrNO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50401377 (CHEMBL2205835) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C19H21NO/c21-19-16-11-8-10-12-13(11)17(19)15(12)18(14(10)16)20(19)7-6-9-4-2-1-3-5-9/h1-5,10-18,21H,6-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50416502 (CHEMBL1209654) Show SMILES CCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1 Show InChI InChI=1S/C23H36NO3/c1-5-6-9-14-24(15-10-7-11-16-24)17-12-8-13-20-18-21(25-2)23(27-4)22(19-20)26-3/h18-19H,5-7,9-12,14-17H2,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome				Bioorg Med Chem Lett 20: 4870-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.090 BindingDB Entry DOI: 10.7270/Q29C6XMQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50401372 (CHEMBL2205819) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C20H23NO/c22-20-17-12-9-11-13-14(12)18(20)16(13)19(15(11)17)21(20)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-19,22H,4,7-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50430258 (CHEMBL2332493) Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(Cl)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9| Show InChI InChI=1S/C19H20ClNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University (NEOMED) Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain				Bioorg Med Chem Lett 23: 1707-11 (2013) Article DOI: 10.1016/j.bmcl.2013.01.069 BindingDB Entry DOI: 10.7270/Q2G73G3N
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198891 (CHEMBL3893332) Show SMILES COc1cc(\C=C2\SC(=S)NC2=O)ccc1OCc1ccc(C)cc1 Show InChI InChI=1S/C19H17NO3S2/c1-12-3-5-13(6-4-12)11-23-15-8-7-14(9-16(15)22-2)10-17-18(21)20-19(24)25-17/h3-10H,11H2,1-2H3,(H,20,21,24)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074806 (2-Phenyl-quinoline-4-carboxylic acid (2-oxo-1-phen...) Show SMILES CC(=O)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H20N2O2/c1-17(28)24(19-12-6-3-7-13-19)27-25(29)21-16-23(18-10-4-2-5-11-18)26-22-15-9-8-14-20(21)22/h2-16,24H,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074806 (2-Phenyl-quinoline-4-carboxylic acid (2-oxo-1-phen...) Show SMILES CC(=O)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H20N2O2/c1-17(28)24(19-12-6-3-7-13-19)27-25(29)21-16-23(18-10-4-2-5-11-18)26-22-15-9-8-14-20(21)22/h2-16,24H,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198898 (CHEMBL3970270) Show SMILES CCc1ccc(OCCCOc2ccc(\C=C3\SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C21H21NO4S/c1-2-15-4-8-17(9-5-15)25-12-3-13-26-18-10-6-16(7-11-18)14-19-20(23)22-21(24)27-19/h4-11,14H,2-3,12-13H2,1H3,(H,22,23,24)/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051294 (2-Phenyl-quinoline-4-carboxylic acid ((S)-1-phenyl...) Show SMILES CC[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051289 ((R)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]...) Show SMILES COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074775 (2-Phenyl-quinoline-4-carboxylic acid (1-phenyl-pro...) Show SMILES CCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051291 (CHEMBL429951 | Phenyl-[(2-phenyl-quinoline-4-carbo...) Show SMILES COC(=O)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50202146 (5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9| Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198768 (CHEMBL3890124) Show SMILES Clc1ccccc1OCCOc1ccc(\C=C2\SC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H14ClNO4S/c19-14-3-1-2-4-15(14)24-10-9-23-13-7-5-12(6-8-13)11-16-17(21)20-18(22)25-16/h1-8,11H,9-10H2,(H,20,21,22)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198881 (CHEMBL496587) Show SMILES Brc1cccc(\C=C2/SC(=O)NC2=O)c1 Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198771 (CHEMBL3948168) Show SMILES CN(C)c1ccc(\C=C2\Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198894 (CHEMBL3959175) Show SMILES Fc1ccc(COc2ccc(\C=C3\SC(=S)NC3=O)cc2Cl)cc1 Show InChI InChI=1S/C17H11ClFNO2S2/c18-13-7-11(8-15-16(21)20-17(23)24-15)3-6-14(13)22-9-10-1-4-12(19)5-2-10/h1-8H,9H2,(H,20,21,23)/b15-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50431295 (CHEMBL2348829) Show SMILES SC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1| Show InChI InChI=1S/C10H6BrNOS2/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50416489 (CHEMBL1209507) Show SMILES COc1cc(cc(OC)c1OC)C#CCC[N+]12CCC(CC1)C2 Show InChI InChI=1S/C19H26NO3/c1-21-17-12-16(13-18(22-2)19(17)23-3)6-4-5-9-20-10-7-15(14-20)8-11-20/h12-13,15H,5,7-11,14H2,1-3H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome				Bioorg Med Chem Lett 20: 4870-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.090 BindingDB Entry DOI: 10.7270/Q29C6XMQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074797 (2-Phenyl-quinoline-4-carboxylic acid (1-phenyl-but...) Show SMILES CCCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24N2O/c1-2-11-23(19-12-5-3-6-13-19)28-26(29)22-18-25(20-14-7-4-8-15-20)27-24-17-10-9-16-21(22)24/h3-10,12-18,23H,2,11H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074788 (2,3-Diphenyl-quinoline-4-carboxylic acid (1-phenyl...) Show SMILES CCC(NC(=O)c1c(-c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H26N2O/c1-2-26(22-14-6-3-7-15-22)33-31(34)29-25-20-12-13-21-27(25)32-30(24-18-10-5-11-19-24)28(29)23-16-8-4-9-17-23/h3-21,26H,2H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074824 (3-Hexyl-2-phenyl-quinoline-4-carboxylic acid (1-ph...) Show SMILES CCCCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H34N2O/c1-3-5-6-13-21-26-29(31(34)33-27(4-2)23-16-9-7-10-17-23)25-20-14-15-22-28(25)32-30(26)24-18-11-8-12-19-24/h7-12,14-20,22,27H,3-6,13,21H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting				J Med Chem 53: 8080-8 (2010) Article DOI: 10.1021/jm1010012 BindingDB Entry DOI: 10.7270/Q2736R5F
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50074788 (2,3-Diphenyl-quinoline-4-carboxylic acid (1-phenyl...) Show SMILES CCC(NC(=O)c1c(-c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H26N2O/c1-2-26(22-14-6-3-7-15-22)33-31(34)29-25-20-12-13-21-27(25)32-30(24-18-10-5-11-19-24)28(29)23-16-8-4-9-17-23/h3-21,26H,2H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 7405-11 (2011) Article DOI: 10.1016/j.bmcl.2011.10.014 BindingDB Entry DOI: 10.7270/Q2CC11Z5
					More data for this Ligand-Target Pair

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