Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432248'   

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))	BDBM50432248 (CHEMBL2347508) 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(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C64H97N15O18S/c1-35(2)28-43(58(91)71-40(54(68)87)24-27-98-6)70-50(82)33-69-61(94)48(30-38-18-11-8-12-19-38)78(5)63(96)45(29-37-16-9-7-10-17-37)75-57(90)42(22-23-49(67)81)72-59(92)44(32-52(85)86)74-60(93)46(34-80)76-56(89)41(20-13-14-25-65)73-62(95)47-21-15-26-79(47)64(97)53(36(3)4)77-55(88)39(66)31-51(83)84/h7-12,16-19,35-36,39-48,53,80H,13-15,20-34,65-66H2,1-6H3,(H2,67,81)(H2,68,87)(H,69,94)(H,70,82)(H,71,91)(H,72,92)(H,73,95)(H,74,93)(H,75,90)(H,76,89)(H,77,88)(H,83,84)(H,85,86)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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))	BDBM50432248 (CHEMBL2347508) 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(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C64H97N15O18S/c1-35(2)28-43(58(91)71-40(54(68)87)24-27-98-6)70-50(82)33-69-61(94)48(30-38-18-11-8-12-19-38)78(5)63(96)45(29-37-16-9-7-10-17-37)75-57(90)42(22-23-49(67)81)72-59(92)44(32-52(85)86)74-60(93)46(34-80)76-56(89)41(20-13-14-25-65)73-62(95)47-21-15-26-79(47)64(97)53(36(3)4)77-55(88)39(66)31-51(83)84/h7-12,16-19,35-36,39-48,53,80H,13-15,20-34,65-66H2,1-6H3,(H2,67,81)(H2,68,87)(H,69,94)(H,70,82)(H,71,91)(H,72,92)(H,73,95)(H,74,93)(H,75,90)(H,76,89)(H,77,88)(H,83,84)(H,85,86)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/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	0.0380	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