Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 2' and Ligand = 'BDBM50238701'   

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 2 (Homo sapiens (Human))	BDBM50238701 (CHEMBL4061507) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C57H96N18O11/c1-4-5-14-38(49(80)70-40(16-10-23-66-57(62)63)55(86)75-26-11-17-45(75)54(85)69-39(15-9-22-65-56(60)61)50(81)71-41(48(59)79)32-46(58)77)68-51(82)42(29-34(2)3)72-53(84)44(30-35-12-7-6-8-13-35)73-52(83)43(31-36-18-20-37(76)21-19-36)67-47(78)33-74-27-24-64-25-28-74/h18-21,34-35,38-45,64,76H,4-17,22-33H2,1-3H3,(H2,58,77)(H2,59,79)(H,67,78)(H,68,82)(H,69,85)(H,70,80)(H,71,81)(H,72,84)(H,73,83)(H4,60,61,65)(H4,62,63,66)/t38-,39-,40-,41-,42-,43-,44-,45-/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	0.340	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human NMUR2 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 2 (Mus musculus)	BDBM50238701 (CHEMBL4061507) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C57H96N18O11/c1-4-5-14-38(49(80)70-40(16-10-23-66-57(62)63)55(86)75-26-11-17-45(75)54(85)69-39(15-9-22-65-56(60)61)50(81)71-41(48(59)79)32-46(58)77)68-51(82)42(29-34(2)3)72-53(84)44(30-35-12-7-6-8-13-35)73-52(83)43(31-36-18-20-37(76)21-19-36)67-47(78)33-74-27-24-64-25-28-74/h18-21,34-35,38-45,64,76H,4-17,22-33H2,1-3H3,(H2,58,77)(H2,59,79)(H,67,78)(H,68,82)(H,69,85)(H,70,80)(H,71,81)(H,72,84)(H,73,83)(H4,60,61,65)(H4,62,63,66)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0340	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at mouse NMUR2 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