BDBM50442973 CHEMBL3086285

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)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=UJDHYQJDWIZUJA-FHVVEDJDSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50442973   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50442973 (CHEMBL3086285) 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)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C56H76N16O11/c1-33(2)25-41(50(78)64-39(22-14-24-63-55(60)61-3)49(77)65-40(47(59)75)27-34-15-7-4-8-16-34)70-56(83)72-71-54(82)43(29-36-19-11-6-12-20-36)67-53(81)45(32-73)69-52(80)44(30-46(58)74)68-51(79)42(28-35-17-9-5-10-18-35)66-48(76)38(57)26-37-21-13-23-62-31-37/h4-13,15-21,23,31,33,38-45,73H,14,22,24-30,32,57H2,1-3H3,(H2,58,74)(H2,59,75)(H,64,78)(H,65,77)(H,66,76)(H,67,81)(H,68,79)(H,69,80)(H,71,82)(H3,60,61,63)(H2,70,72,83)/t38-,39+,40+,41+,42+,43+,44+,45+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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)	BDBM50442973 (CHEMBL3086285) 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)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C56H76N16O11/c1-33(2)25-41(50(78)64-39(22-14-24-63-55(60)61-3)49(77)65-40(47(59)75)27-34-15-7-4-8-16-34)70-56(83)72-71-54(82)43(29-36-19-11-6-12-20-36)67-53(81)45(32-73)69-52(80)44(30-46(58)74)68-51(79)42(28-35-17-9-5-10-18-35)66-48(76)38(57)26-37-21-13-23-62-31-37/h4-13,15-21,23,31,33,38-45,73H,14,22,24-30,32,57H2,1-3H3,(H2,58,74)(H2,59,75)(H,64,78)(H,65,77)(H,66,76)(H,67,81)(H,68,79)(H,69,80)(H,71,82)(H3,60,61,63)(H2,70,72,83)/t38-,39+,40+,41+,42+,43+,44+,45+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	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