Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50196440'   

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
KiSS-1 receptor (Rattus norvegicus)	BDBM50196440 (CHEMBL3968824) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H79FN16O13/c1-29(2)22-41(49(81)66-39(16-11-21-63-55(61)62-7)48(80)67-40(47(60)79)26-34-28-64-38-15-9-8-14-37(34)38)70-56(87)74-73-52(84)43(25-33-12-10-13-35(58)23-33)68-53(85)46(30(3)75)71-50(82)44(27-45(59)78)69-54(86)57(5,6)72-51(83)42(65-31(4)76)24-32-17-19-36(77)20-18-32/h8-10,12-15,17-20,23,28-30,39-44,46,64,75,77H,11,16,21-22,24-27H2,1-7H3,(H2,59,78)(H2,60,79)(H,65,76)(H,66,81)(H,67,80)(H,68,85)(H,69,86)(H,71,82)(H,72,83)(H,73,84)(H3,61,62,63)(H2,70,74,87)/t30-,39+,40+,41+,42-,43+,44+,46+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye b...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50196440 (CHEMBL3968824) Show SMILES CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C57H79FN16O13/c1-29(2)22-41(49(81)66-39(16-11-21-63-55(61)62-7)48(80)67-40(47(60)79)26-34-28-64-38-15-9-8-14-37(34)38)70-56(87)74-73-52(84)43(25-33-12-10-13-35(58)23-33)68-53(85)46(30(3)75)71-50(82)44(27-45(59)78)69-54(86)57(5,6)72-51(83)42(65-31(4)76)24-32-17-19-36(77)20-18-32/h8-10,12-15,17-20,23,28-30,39-44,46,64,75,77H,11,16,21-22,24-27H2,1-7H3,(H2,59,78)(H2,60,79)(H,65,76)(H,66,81)(H,67,80)(H,68,85)(H,69,86)(H,71,82)(H,72,83)(H,73,84)(H3,61,62,63)(H2,70,74,87)/t30-,39+,40+,41+,42-,43+,44+,46+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye...				J Med Chem 59: 8804-8811 (2016) Article DOI: 10.1021/acs.jmedchem.6b00379 BindingDB Entry DOI: 10.7270/Q2000425
					More data for this Ligand-Target Pair