Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238710'   

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 (Mus musculus)	BDBM50238710 (CHEMBL4091611) 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](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/C61H85N17O11/c1-35(2)29-45(75-57(87)48(33-38-18-21-39-13-6-7-14-40(39)30-38)77-55(85)46(71-51(81)24-25-62)32-37-19-22-41(79)23-20-37)54(84)76-47(31-36-11-4-3-5-12-36)56(86)73-43(16-9-27-70-61(67)68)59(89)78-28-10-17-49(78)58(88)72-42(15-8-26-69-60(65)66)53(83)74-44(52(64)82)34-50(63)80/h3-7,11-14,18-23,30,35,42-49,79H,8-10,15-17,24-29,31-34,62H2,1-2H3,(H2,63,80)(H2,64,82)(H,71,81)(H,72,88)(H,73,86)(H,74,83)(H,75,87)(H,76,84)(H,77,85)(H4,65,66,69)(H4,67,68,70)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.5	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
Neuromedin-U receptor 1 (Homo sapiens (Human))	BDBM50238710 (CHEMBL4091611) 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](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/C61H85N17O11/c1-35(2)29-45(75-57(87)48(33-38-18-21-39-13-6-7-14-40(39)30-38)77-55(85)46(71-51(81)24-25-62)32-37-19-22-41(79)23-20-37)54(84)76-47(31-36-11-4-3-5-12-36)56(86)73-43(16-9-27-70-61(67)68)59(89)78-28-10-17-49(78)58(88)72-42(15-8-26-69-60(65)66)53(83)74-44(52(64)82)34-50(63)80/h3-7,11-14,18-23,30,35,42-49,79H,8-10,15-17,24-29,31-34,62H2,1-2H3,(H2,63,80)(H2,64,82)(H,71,81)(H,72,88)(H,73,86)(H,74,83)(H,75,87)(H,76,84)(H,77,85)(H4,65,66,69)(H4,67,68,70)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.80	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