BDBM50432263 CHEMBL2347658

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(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=GUHKLCZSDWBQAA-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 = 50432263   

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))	BDBM50432263 (CHEMBL2347658) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(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/C59H81N13O18S/c1-31(2)25-38(53(84)65-35(50(61)81)21-24-91-3)64-47(76)30-62-51(82)39(27-33-13-15-34(73)16-14-33)67-54(85)40(26-32-9-5-4-6-10-32)68-52(83)36(18-20-48(77)78)66-55(86)41(29-49(79)80)69-56(87)43-11-8-23-72(43)59(90)42(28-45(60)74)70-57(88)44-12-7-22-71(44)58(89)37-17-19-46(75)63-37/h4-6,9-10,13-16,31,35-44,73H,7-8,11-12,17-30H2,1-3H3,(H2,60,74)(H2,61,81)(H,62,82)(H,63,75)(H,64,76)(H,65,84)(H,66,86)(H,67,85)(H,68,83)(H,69,87)(H,70,88)(H,77,78)(H,79,80)/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	710	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))	BDBM50432263 (CHEMBL2347658) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(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/C59H81N13O18S/c1-31(2)25-38(53(84)65-35(50(61)81)21-24-91-3)64-47(76)30-62-51(82)39(27-33-13-15-34(73)16-14-33)67-54(85)40(26-32-9-5-4-6-10-32)68-52(83)36(18-20-48(77)78)66-55(86)41(29-49(79)80)69-56(87)43-11-8-23-72(43)59(90)42(28-45(60)74)70-57(88)44-12-7-22-71(44)58(89)37-17-19-46(75)63-37/h4-6,9-10,13-16,31,35-44,73H,7-8,11-12,17-30H2,1-3H3,(H2,60,74)(H2,61,81)(H,62,82)(H,63,75)(H,64,76)(H,65,84)(H,66,86)(H,67,85)(H,68,83)(H,69,87)(H,70,88)(H,77,78)(H,79,80)/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	1.40	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