Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 2' and Ligand = 'BDBM50291715'   

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))	BDBM50291715 (CHEMBL4172552) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)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/C56H82N16O10/c1-31(2)24-42(70-52(80)43(27-34-14-7-5-8-15-34)69-48(76)38(57)29-37-32(3)25-36(73)26-33(37)4)50(78)71-44(28-35-16-9-6-10-17-35)51(79)67-40(19-12-22-65-56(62)63)54(82)72-23-13-20-45(72)53(81)66-39(18-11-21-64-55(60)61)49(77)68-41(47(59)75)30-46(58)74/h5-10,14-17,25-26,31,38-45,73H,11-13,18-24,27-30,57H2,1-4H3,(H2,58,74)(H2,59,75)(H,66,81)(H,67,79)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H4,60,61,64)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	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 NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting				Eur J Med Chem 144: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP
					More data for this Ligand-Target Pair
Neuromedin-U receptor 2 (Homo sapiens (Human))	BDBM50291715 (CHEMBL4172552) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)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/C56H82N16O10/c1-31(2)24-42(70-52(80)43(27-34-14-7-5-8-15-34)69-48(76)38(57)29-37-32(3)25-36(73)26-33(37)4)50(78)71-44(28-35-16-9-6-10-17-35)51(79)67-40(19-12-22-65-56(62)63)54(82)72-23-13-20-45(72)53(81)66-39(18-11-21-64-55(60)61)49(77)68-41(47(59)75)30-46(58)74/h5-10,14-17,25-26,31,38-45,73H,11-13,18-24,27-30,57H2,1-4H3,(H2,58,74)(H2,59,75)(H,66,81)(H,67,79)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H4,60,61,64)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.830	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based...				Eur J Med Chem 144: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP
					More data for this Ligand-Target Pair