Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50336022'   

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))	BDBM50336022 (CHEMBL4171236) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(CCc1ccc(O)cc1)CC(=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/C58H82N16O12/c1-33(2)26-45(71-52(82)44(27-36-10-5-4-6-11-36)70-54(84)47-29-37-17-20-40(77)28-38(37)31-74(47)34(3)75)55(85)72(25-21-35-15-18-39(76)19-16-35)32-49(79)67-42(13-8-23-66-58(63)64)56(86)73-24-9-14-46(73)53(83)68-41(12-7-22-65-57(61)62)51(81)69-43(50(60)80)30-48(59)78/h4-6,10-11,15-20,28,33,41-47,76-77H,7-9,12-14,21-27,29-32H2,1-3H3,(H2,59,78)(H2,60,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)(H,71,82)(H4,61,62,65)(H4,63,64,66)/t41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method				ACS Med Chem Lett 9: 496-501 (2018) Article DOI: 10.1021/acsmedchemlett.8b00105 BindingDB Entry DOI: 10.7270/Q2FB55HS
					More data for this Ligand-Target Pair
Neuromedin-U receptor 1 (Homo sapiens (Human))	BDBM50336022 (CHEMBL4171236) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(CCc1ccc(O)cc1)CC(=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/C58H82N16O12/c1-33(2)26-45(71-52(82)44(27-36-10-5-4-6-11-36)70-54(84)47-29-37-17-20-40(77)28-38(37)31-74(47)34(3)75)55(85)72(25-21-35-15-18-39(76)19-16-35)32-49(79)67-42(13-8-23-66-58(63)64)56(86)73-24-9-14-46(73)53(83)68-41(12-7-22-65-57(61)62)51(81)69-43(50(60)80)30-48(59)78/h4-6,10-11,15-20,28,33,41-47,76-77H,7-9,12-14,21-27,29-32H2,1-3H3,(H2,59,78)(H2,60,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)(H,71,82)(H4,61,62,65)(H4,63,64,66)/t41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintill...				ACS Med Chem Lett 9: 496-501 (2018) Article DOI: 10.1021/acsmedchemlett.8b00105 BindingDB Entry DOI: 10.7270/Q2FB55HS
					More data for this Ligand-Target Pair