BDBM50196444 CHEMBL3894943

SMILES: CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=KJWLKJOZYHCFNA-JMXLRESJSA-N

Data: 2 EC50

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 = 50196444   

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))	BDBM50196444 (CHEMBL3894943) 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](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCN1C(=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/C59H82N16O13/c1-32(2)26-43(52(82)67-41(18-13-24-64-58(62)63-5)51(81)68-42(50(61)80)29-37-31-65-40-17-10-9-16-39(37)40)71-59(88)74-73-54(84)44(27-35-14-7-6-8-15-35)70-56(86)49(33(3)76)72-53(83)45(30-48(60)79)69-55(85)47-19-11-12-25-75(47)57(87)46(66-34(4)77)28-36-20-22-38(78)23-21-36/h6-10,14-17,20-23,31-33,41-47,49,65,76,78H,11-13,18-19,24-30H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,82)(H,68,81)(H,69,85)(H,70,86)(H,72,83)(H,73,84)(H3,62,63,64)(H2,71,74,88)/t33-,41+,42+,43+,44+,45+,46-,47+,49+/m1/s1	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	2.80	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
KiSS-1 receptor (Rattus norvegicus)	BDBM50196444 (CHEMBL3894943) 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](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCN1C(=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/C59H82N16O13/c1-32(2)26-43(52(82)67-41(18-13-24-64-58(62)63-5)51(81)68-42(50(61)80)29-37-31-65-40-17-10-9-16-39(37)40)71-59(88)74-73-54(84)44(27-35-14-7-6-8-15-35)70-56(86)49(33(3)76)72-53(83)45(30-48(60)79)69-55(85)47-19-11-12-25-75(47)57(87)46(66-34(4)77)28-36-20-22-38(78)23-21-36/h6-10,14-17,20-23,31-33,41-47,49,65,76,78H,11-13,18-19,24-30H2,1-5H3,(H2,60,79)(H2,61,80)(H,66,77)(H,67,82)(H,68,81)(H,69,85)(H,70,86)(H,72,83)(H,73,84)(H3,62,63,64)(H2,71,74,88)/t33-,41+,42+,43+,44+,45+,46-,47+,49+/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	17	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