Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432260'   

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))	BDBM50432260 (CHEMBL2347661) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C58H81N13O16S/c1-32(2)25-37(50(79)64-35(49(60)78)21-24-88-4)63-47(75)30-61-53(82)44(27-34-15-9-6-10-16-34)69(3)56(85)40(26-33-13-7-5-8-14-33)67-52(81)39(29-48(76)77)65-51(80)38(28-45(59)73)66-54(83)42-17-12-23-71(42)58(87)41(31-72)68-55(84)43-18-11-22-70(43)57(86)36-19-20-46(74)62-36/h5-10,13-16,32,35-44,72H,11-12,17-31H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,84)(H,76,77)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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))	BDBM50432260 (CHEMBL2347661) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C58H81N13O16S/c1-32(2)25-37(50(79)64-35(49(60)78)21-24-88-4)63-47(75)30-61-53(82)44(27-34-15-9-6-10-16-34)69(3)56(85)40(26-33-13-7-5-8-14-33)67-52(81)39(29-48(76)77)65-51(80)38(28-45(59)73)66-54(83)42-17-12-23-71(42)58(87)41(31-72)68-55(84)43-18-11-22-70(43)57(86)36-19-20-46(74)62-36/h5-10,13-16,32,35-44,72H,11-12,17-31H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,84)(H,76,77)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.130	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