Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432255'   

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-K receptor (Homo sapiens (Human))	BDBM50432255 (PHYSALAEMIN) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H82N14O16S/c1-30(2)25-38(52(82)65-35(48(60)78)21-24-88-4)64-45(75)29-61-56(86)47(33-15-17-34(72)18-16-33)70-54(84)39(26-32-11-6-5-7-12-32)67-51(81)36(13-8-9-22-58)66-53(83)40(27-43(59)73)68-55(85)42-14-10-23-71(42)57(87)41(28-46(76)77)69-49(79)31(3)62-50(80)37-19-20-44(74)63-37/h5-7,11-12,15-18,30-31,35-42,47,72H,8-10,13-14,19-29,58H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,86)(H,62,80)(H,63,74)(H,64,75)(H,65,82)(H,66,83)(H,67,81)(H,68,85)(H,69,79)(H,70,84)(H,76,77)/t31?,35?,36?,37-,38?,39?,40?,41?,42?,47?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis				Bioorg Med Chem 21: 2413-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50432255 (PHYSALAEMIN) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H82N14O16S/c1-30(2)25-38(52(82)65-35(48(60)78)21-24-88-4)64-45(75)29-61-56(86)47(33-15-17-34(72)18-16-33)70-54(84)39(26-32-11-6-5-7-12-32)67-51(81)36(13-8-9-22-58)66-53(83)40(27-43(59)73)68-55(85)42-14-10-23-71(42)57(87)41(28-46(76)77)69-49(79)31(3)62-50(80)37-19-20-44(74)63-37/h5-7,11-12,15-18,30-31,35-42,47,72H,8-10,13-14,19-29,58H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,86)(H,62,80)(H,63,74)(H,64,75)(H,65,82)(H,66,83)(H,67,81)(H,68,85)(H,69,79)(H,70,84)(H,76,77)/t31?,35?,36?,37-,38?,39?,40?,41?,42?,47?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM				Bioorg Med Chem 21: 2413-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2
					More data for this Ligand-Target Pair