BDBM50432262 CHEMBL2347659

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O

InChI Key: InChIKey=LEDWNHYVZKDSFC-BLDAPKAQSA-N

Data: 1 IC50  1 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 = 50432262   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50432262 (CHEMBL2347659) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C59H81N13O17S/c1-32(2)25-37(51(81)65-35(50(61)80)21-24-90-4)64-47(75)31-62-54(84)44(27-34-15-9-6-10-16-34)70(3)57(87)40(26-33-13-7-5-8-14-33)68-53(83)38(29-48(76)77)66-52(82)39(30-49(78)79)67-55(85)42-17-12-23-72(42)59(89)41(28-45(60)73)69-56(86)43-18-11-22-71(43)58(88)36-19-20-46(74)63-36/h5-10,13-16,32,35-44H,11-12,17-31H2,1-4H3,(H2,60,73)(H2,61,80)(H,62,84)(H,63,74)(H,64,75)(H,65,81)(H,66,82)(H,67,85)(H,68,83)(H,69,86)(H,76,77)(H,78,79)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis				Bioorg Med Chem 21: 2413-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50432262 (CHEMBL2347659) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C59H81N13O17S/c1-32(2)25-37(51(81)65-35(50(61)80)21-24-90-4)64-47(75)31-62-54(84)44(27-34-15-9-6-10-16-34)70(3)57(87)40(26-33-13-7-5-8-14-33)68-53(83)38(29-48(76)77)66-52(82)39(30-49(78)79)67-55(85)42-17-12-23-72(42)59(89)41(28-45(60)73)69-56(86)43-18-11-22-71(43)58(88)36-19-20-46(74)63-36/h5-10,13-16,32,35-44H,11-12,17-31H2,1-4H3,(H2,60,73)(H2,61,80)(H,62,84)(H,63,74)(H,64,75)(H,65,81)(H,66,82)(H,67,85)(H,68,83)(H,69,86)(H,76,77)(H,78,79)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	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	0.0830	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM				Bioorg Med Chem 21: 2413-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2
					More data for this Ligand-Target Pair