Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432267'   

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))	BDBM50432267 (CHEMBL2347496) 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](CCSC)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/C56H81N13O14S3/c1-32(2)23-40(52(79)63-37(48(58)75)17-20-84-4)62-45(70)30-60-55(82)44(25-34-15-11-8-12-16-34)69(3)56(83)43(24-33-13-9-7-10-14-33)68-51(78)39(19-22-86-6)65-54(81)42(28-47(73)74)67-53(80)41(26-35-29-59-31-61-35)66-50(77)38(18-21-85-5)64-49(76)36(57)27-46(71)72/h7-16,29,31-32,36-44H,17-28,30,57H2,1-6H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,79)(H,64,76)(H,65,81)(H,66,77)(H,67,80)(H,68,78)(H,71,72)(H,73,74)/t36-,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	1.70	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))	BDBM50432267 (CHEMBL2347496) 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](CCSC)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/C56H81N13O14S3/c1-32(2)23-40(52(79)63-37(48(58)75)17-20-84-4)62-45(70)30-60-55(82)44(25-34-15-11-8-12-16-34)69(3)56(83)43(24-33-13-9-7-10-14-33)68-51(78)39(19-22-86-6)65-54(81)42(28-47(73)74)67-53(80)41(26-35-29-59-31-61-35)66-50(77)38(18-21-85-5)64-49(76)36(57)27-46(71)72/h7-16,29,31-32,36-44H,17-28,30,57H2,1-6H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,79)(H,64,76)(H,65,81)(H,66,77)(H,67,80)(H,68,78)(H,71,72)(H,73,74)/t36-,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	0.0320	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