Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432268'   

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))	BDBM50432268 (CHEMBL2347495) 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](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C55H79N13O15S2/c1-30(2)21-38(50(78)62-36(47(57)75)17-19-84-5)61-43(70)28-59-53(81)42(23-33-15-11-8-12-16-33)68(4)55(83)41(22-32-13-9-7-10-14-32)66-54(82)46(31(3)69)67-52(80)40(26-45(73)74)65-51(79)39(24-34-27-58-29-60-34)64-49(77)37(18-20-85-6)63-48(76)35(56)25-44(71)72/h7-16,27,29-31,35-42,46,69H,17-26,28,56H2,1-6H3,(H2,57,75)(H,58,60)(H,59,81)(H,61,70)(H,62,78)(H,63,76)(H,64,77)(H,65,79)(H,66,82)(H,67,80)(H,71,72)(H,73,74)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,46+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
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))	BDBM50432268 (CHEMBL2347495) 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](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C55H79N13O15S2/c1-30(2)21-38(50(78)62-36(47(57)75)17-19-84-5)61-43(70)28-59-53(81)42(23-33-15-11-8-12-16-33)68(4)55(83)41(22-32-13-9-7-10-14-32)66-54(82)46(31(3)69)67-52(80)40(26-45(73)74)65-51(79)39(24-34-27-58-29-60-34)64-49(77)37(18-20-85-6)63-48(76)35(56)25-44(71)72/h7-16,27,29-31,35-42,46,69H,17-26,28,56H2,1-6H3,(H2,57,75)(H,58,60)(H,59,81)(H,61,70)(H,62,78)(H,63,76)(H,64,77)(H,65,79)(H,66,82)(H,67,80)(H,71,72)(H,73,74)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,46+/m1/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	0.0460	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