Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238692'   

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))	BDBM50238692 (CHEMBL4060027) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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/C53H81N17O13/c1-29(2)25-37(68-46(78)34(18-19-43(74)75)64-48(80)38(63-42(73)20-21-54)27-31-14-16-32(71)17-15-31)47(79)69-39(26-30-9-4-3-5-10-30)49(81)66-35(12-7-23-62-53(59)60)51(83)70-24-8-13-40(70)50(82)65-33(11-6-22-61-52(57)58)45(77)67-36(44(56)76)28-41(55)72/h3-5,9-10,14-17,29,33-40,71H,6-8,11-13,18-28,54H2,1-2H3,(H2,55,72)(H2,56,76)(H,63,73)(H,64,80)(H,65,82)(H,66,81)(H,67,77)(H,68,78)(H,69,79)(H,74,75)(H4,57,58,61)(H4,59,60,62)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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)	BDBM50238692 (CHEMBL4060027) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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/C53H81N17O13/c1-29(2)25-37(68-46(78)34(18-19-43(74)75)64-48(80)38(63-42(73)20-21-54)27-31-14-16-32(71)17-15-31)47(79)69-39(26-30-9-4-3-5-10-30)49(81)66-35(12-7-23-62-53(59)60)51(83)70-24-8-13-40(70)50(82)65-33(11-6-22-61-52(57)58)45(77)67-36(44(56)76)28-41(55)72/h3-5,9-10,14-17,29,33-40,71H,6-8,11-13,18-28,54H2,1-2H3,(H2,55,72)(H2,56,76)(H,63,73)(H,64,80)(H,65,82)(H,66,81)(H,67,77)(H,68,78)(H,69,79)(H,74,75)(H4,57,58,61)(H4,59,60,62)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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