Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50336619'   

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))	BDBM50336619 (CHEMBL4167803) Show SMILES CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C57H82N16O11/c1-33(2)28-42(70-53(82)45(30-36-16-9-6-10-17-36)72-51(80)43(66-34(3)74)31-37-21-23-38(75)24-22-37)50(79)71-44(29-35-14-7-5-8-15-35)52(81)68-40(19-12-26-65-57(61)62)55(84)73-27-13-20-46(73)54(83)67-39(18-11-25-64-56(59)60)49(78)69-41(48(58)77)32-47(76)63-4/h5-10,14-17,21-24,33,39-46,75H,11-13,18-20,25-32H2,1-4H3,(H2,58,77)(H,63,76)(H,66,74)(H,67,83)(H,68,81)(H,69,78)(H,70,82)(H,71,79)(H,72,80)(H4,59,60,64)(H4,61,62,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	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))	BDBM50336619 (CHEMBL4167803) Show SMILES CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C57H82N16O11/c1-33(2)28-42(70-53(82)45(30-36-16-9-6-10-17-36)72-51(80)43(66-34(3)74)31-37-21-23-38(75)24-22-37)50(79)71-44(29-35-14-7-5-8-15-35)52(81)68-40(19-12-26-65-57(61)62)55(84)73-27-13-20-46(73)54(83)67-39(18-11-25-64-56(59)60)49(78)69-41(48(58)77)32-47(76)63-4/h5-10,14-17,21-24,33,39-46,75H,11-13,18-20,25-32H2,1-4H3,(H2,58,77)(H,63,76)(H,66,74)(H,67,83)(H,68,81)(H,69,78)(H,70,82)(H,71,79)(H,72,80)(H4,59,60,64)(H4,61,62,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	57	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