Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238699'   

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))	BDBM50238699 (CHEMBL4063341) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C64H90N18O11/c1-38(2)31-48(78-60(91)51(35-41-18-21-42-13-6-7-14-43(42)32-41)80-58(89)49(34-40-19-22-44(83)23-20-40)74-54(85)37-81-29-26-71-27-30-81)57(88)79-50(33-39-11-4-3-5-12-39)59(90)76-46(16-9-25-73-64(69)70)62(93)82-28-10-17-52(82)61(92)75-45(15-8-24-72-63(67)68)56(87)77-47(55(66)86)36-53(65)84/h3-7,11-14,18-23,32,38,45-52,71,83H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,84)(H2,66,86)(H,74,85)(H,75,92)(H,76,90)(H,77,87)(H,78,91)(H,79,88)(H,80,89)(H4,67,68,72)(H4,69,70,73)/t45-,46-,47-,48-,49-,50-,51-,52-/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	9.5	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)	BDBM50238699 (CHEMBL4063341) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C64H90N18O11/c1-38(2)31-48(78-60(91)51(35-41-18-21-42-13-6-7-14-43(42)32-41)80-58(89)49(34-40-19-22-44(83)23-20-40)74-54(85)37-81-29-26-71-27-30-81)57(88)79-50(33-39-11-4-3-5-12-39)59(90)76-46(16-9-25-73-64(69)70)62(93)82-28-10-17-52(82)61(92)75-45(15-8-24-72-63(67)68)56(87)77-47(55(66)86)36-53(65)84/h3-7,11-14,18-23,32,38,45-52,71,83H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,84)(H2,66,86)(H,74,85)(H,75,92)(H,76,90)(H,77,87)(H,78,91)(H,79,88)(H,80,89)(H4,67,68,72)(H4,69,70,73)/t45-,46-,47-,48-,49-,50-,51-,52-/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	9.60	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