Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238702'   

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-U receptor 1 (Homo sapiens (Human))	BDBM50238702 (CHEMBL4071218) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C60H81N15O12/c1-34(2)28-44(72-57(85)47(32-37-16-19-38-12-6-7-13-39(38)29-37)74-55(83)45(68-51(79)24-25-61)31-36-17-20-40(76)21-18-36)54(82)73-46(30-35-10-4-3-5-11-35)56(84)70-42(22-23-49(62)77)59(87)75-27-9-15-48(75)58(86)69-41(14-8-26-67-60(65)66)53(81)71-43(52(64)80)33-50(63)78/h3-7,10-13,16-21,29,34,41-48,76H,8-9,14-15,22-28,30-33,61H2,1-2H3,(H2,62,77)(H2,63,78)(H2,64,80)(H,68,79)(H,69,86)(H,70,84)(H,71,81)(H,72,85)(H,73,82)(H,74,83)(H4,65,66,67)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay				J Med Chem 60: 6089-6097 (2017) Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK
					More data for this Ligand-Target Pair
Neuromedin-U receptor 1 (Mus musculus)	BDBM50238702 (CHEMBL4071218) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C60H81N15O12/c1-34(2)28-44(72-57(85)47(32-37-16-19-38-12-6-7-13-39(38)29-37)74-55(83)45(68-51(79)24-25-61)31-36-17-20-40(76)21-18-36)54(82)73-46(30-35-10-4-3-5-11-35)56(84)70-42(22-23-49(62)77)59(87)75-27-9-15-48(75)58(86)69-41(14-8-26-67-60(65)66)53(81)71-43(52(64)80)33-50(63)78/h3-7,10-13,16-21,29,34,41-48,76H,8-9,14-15,22-28,30-33,61H2,1-2H3,(H2,62,77)(H2,63,78)(H2,64,80)(H,68,79)(H,69,86)(H,70,84)(H,71,81)(H,72,85)(H,73,82)(H,74,83)(H4,65,66,67)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at mouse NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay				J Med Chem 60: 6089-6097 (2017) Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK
					More data for this Ligand-Target Pair