Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50336638'   

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))	BDBM50336638 (CHEMBL4164987) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(C)[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/C58H82N16O11/c1-33(2)26-44(71-51(80)43(27-35-14-7-5-8-15-35)70-54(83)47-30-37-21-22-39(76)29-38(37)32-74(47)34(3)75)55(84)72(4)46(28-36-16-9-6-10-17-36)53(82)68-41(19-12-24-66-58(63)64)56(85)73-25-13-20-45(73)52(81)67-40(18-11-23-65-57(61)62)50(79)69-42(49(60)78)31-48(59)77/h5-10,14-17,21-22,29,33,40-47,76H,11-13,18-20,23-28,30-32H2,1-4H3,(H2,59,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H4,61,62,65)(H4,63,64,66)/t40-,41-,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	3	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))	BDBM50336638 (CHEMBL4164987) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(C)=O)C(=O)N(C)[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/C58H82N16O11/c1-33(2)26-44(71-51(80)43(27-35-14-7-5-8-15-35)70-54(83)47-30-37-21-22-39(76)29-38(37)32-74(47)34(3)75)55(84)72(4)46(28-36-16-9-6-10-17-36)53(82)68-41(19-12-24-66-58(63)64)56(85)73-25-13-20-45(73)52(81)67-40(18-11-23-65-57(61)62)50(79)69-42(49(60)78)31-48(59)77/h5-10,14-17,21-22,29,33,40-47,76H,11-13,18-20,23-28,30-32H2,1-4H3,(H2,59,77)(H2,60,78)(H,67,81)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H4,61,62,65)(H4,63,64,66)/t40-,41-,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	19	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