Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432246'   

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))	BDBM50432246 (CHEMBL2347510) 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](CCC(O)=O)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(N)=O |r| Show InChI InChI=1S/C56H79N13O16S2/c1-31(2)22-39(52(81)63-36(48(58)77)18-20-86-4)62-44(70)29-60-55(84)43(24-33-14-10-7-11-15-33)69(3)56(85)42(23-32-12-8-6-9-13-32)68-50(79)37(16-17-45(71)72)65-54(83)41(27-47(75)76)67-53(82)40(25-34-28-59-30-61-34)66-51(80)38(19-21-87-5)64-49(78)35(57)26-46(73)74/h6-15,28,30-31,35-43H,16-27,29,57H2,1-5H3,(H2,58,77)(H,59,61)(H,60,84)(H,62,70)(H,63,81)(H,64,78)(H,65,83)(H,66,80)(H,67,82)(H,68,79)(H,71,72)(H,73,74)(H,75,76)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	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))	BDBM50432246 (CHEMBL2347510) 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](CCC(O)=O)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(N)=O |r| Show InChI InChI=1S/C56H79N13O16S2/c1-31(2)22-39(52(81)63-36(48(58)77)18-20-86-4)62-44(70)29-60-55(84)43(24-33-14-10-7-11-15-33)69(3)56(85)42(23-32-12-8-6-9-13-32)68-50(79)37(16-17-45(71)72)65-54(83)41(27-47(75)76)67-53(82)40(25-34-28-59-30-61-34)66-51(80)38(19-21-87-5)64-49(78)35(57)26-46(73)74/h6-15,28,30-31,35-43H,16-27,29,57H2,1-5H3,(H2,58,77)(H,59,61)(H,60,84)(H,62,70)(H,63,81)(H,64,78)(H,65,83)(H,66,80)(H,67,82)(H,68,79)(H,71,72)(H,73,74)(H,75,76)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/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	0.0240	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