Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432250'   

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))	BDBM50432250 (CHEMBL2347506) 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](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C58H85N13O15S/c1-33(2)27-40(53(81)65-37(49(60)77)23-26-87-5)64-47(74)31-61-55(83)45(29-36-17-10-7-11-18-36)70(4)57(85)42(28-35-15-8-6-9-16-35)68-50(78)34(3)62-52(80)41(30-48(75)76)67-51(79)38(19-12-13-24-59)66-54(82)43(32-72)69-56(84)44-20-14-25-71(44)58(86)39-21-22-46(73)63-39/h6-11,15-18,33-34,37-45,72H,12-14,19-32,59H2,1-5H3,(H2,60,77)(H,61,83)(H,62,80)(H,63,73)(H,64,74)(H,65,81)(H,66,82)(H,67,79)(H,68,78)(H,69,84)(H,75,76)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-/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	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))	BDBM50432250 (CHEMBL2347506) 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](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C58H85N13O15S/c1-33(2)27-40(53(81)65-37(49(60)77)23-26-87-5)64-47(74)31-61-55(83)45(29-36-17-10-7-11-18-36)70(4)57(85)42(28-35-15-8-6-9-16-35)68-50(78)34(3)62-52(80)41(30-48(75)76)67-51(79)38(19-12-13-24-59)66-54(82)43(32-72)69-56(84)44-20-14-25-71(44)58(86)39-21-22-46(73)63-39/h6-11,15-18,33-34,37-45,72H,12-14,19-32,59H2,1-5H3,(H2,60,77)(H,61,83)(H,62,80)(H,63,73)(H,64,74)(H,65,81)(H,66,82)(H,67,79)(H,68,78)(H,69,84)(H,75,76)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-/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	0.0710	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