Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50432251'   

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))	BDBM50432251 (CHEMBL2347505) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)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(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C55H85N13O17S/c1-6-30(4)45(54(84)58-27-42(71)60-35(23-29(2)3)48(78)61-32(46(57)76)19-22-86-5)67-51(81)36(24-31-13-8-7-9-14-31)63-49(79)38(26-44(74)75)65-50(80)37(25-43(72)73)64-47(77)33(15-10-11-20-56)62-52(82)39(28-69)66-53(83)40-16-12-21-68(40)55(85)34-17-18-41(70)59-34/h7-9,13-14,29-30,32-40,45,69H,6,10-12,15-28,56H2,1-5H3,(H2,57,76)(H,58,84)(H,59,70)(H,60,71)(H,61,78)(H,62,82)(H,63,79)(H,64,77)(H,65,80)(H,66,83)(H,67,81)(H,72,73)(H,74,75)/t30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,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	35	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))	BDBM50432251 (CHEMBL2347505) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)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(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r| Show InChI InChI=1S/C55H85N13O17S/c1-6-30(4)45(54(84)58-27-42(71)60-35(23-29(2)3)48(78)61-32(46(57)76)19-22-86-5)67-51(81)36(24-31-13-8-7-9-14-31)63-49(79)38(26-44(74)75)65-50(80)37(25-43(72)73)64-47(77)33(15-10-11-20-56)62-52(82)39(28-69)66-53(83)40-16-12-21-68(40)55(85)34-17-18-41(70)59-34/h7-9,13-14,29-30,32-40,45,69H,6,10-12,15-28,56H2,1-5H3,(H2,57,76)(H,58,84)(H,59,70)(H,60,71)(H,61,78)(H,62,82)(H,63,79)(H,64,77)(H,65,80)(H,66,83)(H,67,81)(H,72,73)(H,74,75)/t30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,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	0.00540	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