Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'KiSS-1 receptor' and Ligand = 'BDBM50442980'   

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))	BDBM50442980 (CHEMBL3086281) Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C57H77N15O12/c1-33(2)26-42(51(79)64-40(20-13-25-63-56(61)62-3)50(78)65-41(48(60)76)28-34-14-7-4-8-15-34)70-57(84)72-71-55(83)44(30-36-18-11-6-12-19-36)67-54(82)46(32-73)69-53(81)45(31-47(59)75)68-52(80)43(29-35-16-9-5-10-17-35)66-49(77)39(58)27-37-21-23-38(74)24-22-37/h4-12,14-19,21-24,33,39-46,73-74H,13,20,25-32,58H2,1-3H3,(H2,59,75)(H2,60,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,61,62,63)(H2,70,72,84)/t39-,40+,41+,42+,43+,44+,45+,46+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Binding affinity to human KISS1R expressed in CHO cell membranes				J Med Chem 56: 8298-307 (2013) Article DOI: 10.1021/jm401056w BindingDB Entry DOI: 10.7270/Q25M675S
					More data for this Ligand-Target Pair
KiSS-1 receptor (Rattus norvegicus)	BDBM50442980 (CHEMBL3086281) Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C57H77N15O12/c1-33(2)26-42(51(79)64-40(20-13-25-63-56(61)62-3)50(78)65-41(48(60)76)28-34-14-7-4-8-15-34)70-57(84)72-71-55(83)44(30-36-18-11-6-12-19-36)67-54(82)46(32-73)69-53(81)45(31-47(59)75)68-52(80)43(29-35-16-9-5-10-17-35)66-49(77)39(58)27-37-21-23-38(74)24-22-37/h4-12,14-19,21-24,33,39-46,73-74H,13,20,25-32,58H2,1-3H3,(H2,59,75)(H2,60,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,61,62,63)(H2,70,72,84)/t39-,40+,41+,42+,43+,44+,45+,46+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Binding affinity to rat KISS1R				J Med Chem 56: 8298-307 (2013) Article DOI: 10.1021/jm401056w BindingDB Entry DOI: 10.7270/Q25M675S
					More data for this Ligand-Target Pair