Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50203793'   

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 (Homo sapiens (Human))	BDBM50203793 ((2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-me...) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C82H106N18O18/c1-45(2)33-54(83)82(118)100-32-16-25-66(100)81(117)98-64(41-69(86)105)78(114)94-60(37-50-26-29-52(102)30-27-50)75(111)96-62(39-67(84)103)77(113)95-61(38-51-42-88-55-24-15-14-23-53(51)55)76(112)97-63(40-68(85)104)79(115)99-65(44-101)80(116)93-59(36-49-21-12-7-13-22-49)72(108)89-43-70(106)90-58(34-46(3)4)74(110)91-56(31-28-47-17-8-5-9-18-47)73(109)92-57(71(87)107)35-48-19-10-6-11-20-48/h5-15,17-24,26-27,29-30,42,45-46,54,56-66,88,101-102H,16,25,28,31-41,43-44,83H2,1-4H3,(H2,84,103)(H2,85,104)(H2,86,105)(H2,87,107)(H,89,108)(H,90,106)(H,91,110)(H,92,109)(H,93,116)(H,94,114)(H,95,113)(H,96,111)(H,97,112)(H,98,117)(H,99,115)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Health Science Center Curated by ChEMBL					Assay Description Displacement of [125]metastin from metastin receptor				J Med Chem 50: 462-71 (2007) Article DOI: 10.1021/jm0609824 BindingDB Entry DOI: 10.7270/Q2HT2P0K
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50203793 ((2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-me...) Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C82H106N18O18/c1-45(2)33-54(83)82(118)100-32-16-25-66(100)81(117)98-64(41-69(86)105)78(114)94-60(37-50-26-29-52(102)30-27-50)75(111)96-62(39-67(84)103)77(113)95-61(38-51-42-88-55-24-15-14-23-53(51)55)76(112)97-63(40-68(85)104)79(115)99-65(44-101)80(116)93-59(36-49-21-12-7-13-22-49)72(108)89-43-70(106)90-58(34-46(3)4)74(110)91-56(31-28-47-17-8-5-9-18-47)73(109)92-57(71(87)107)35-48-19-10-6-11-20-48/h5-15,17-24,26-27,29-30,42,45-46,54,56-66,88,101-102H,16,25,28,31-41,43-44,83H2,1-4H3,(H2,84,103)(H2,85,104)(H2,86,105)(H2,87,107)(H,89,108)(H,90,106)(H,91,110)(H,92,109)(H,93,116)(H,94,114)(H,95,113)(H,96,111)(H,97,112)(H,98,117)(H,99,115)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/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	1.00E+4	n/a	n/a	n/a	n/a
University of Minnesota Health Science Center Curated by ChEMBL					Assay Description Activity at metastin receptor expressed in HEK293 cells by measuring calcium release				J Med Chem 50: 462-71 (2007) Article DOI: 10.1021/jm0609824 BindingDB Entry DOI: 10.7270/Q2HT2P0K
					More data for this Ligand-Target Pair