BDBM50432264 CHEMBL2347657

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](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(C)C)C(N)=O

InChI Key: InChIKey=GVLVLKCIPHQAFA-MLKOBGDHSA-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 = 50432264   

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))	BDBM50432264 (CHEMBL2347657) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](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(C)C)C(N)=O |r| Show InChI InChI=1S/C55H81N13O17S/c1-28(2)23-34(48(78)61-31(46(57)76)19-22-86-5)60-42(71)27-58-53(83)45(29(3)4)66-50(80)35(24-30-11-7-6-8-12-30)63-47(77)32(16-18-43(72)73)62-49(79)36(26-44(74)75)64-51(81)38-13-10-21-68(38)55(85)37(25-40(56)69)65-52(82)39-14-9-20-67(39)54(84)33-15-17-41(70)59-33/h6-8,11-12,28-29,31-39,45H,9-10,13-27H2,1-5H3,(H2,56,69)(H2,57,76)(H,58,83)(H,59,70)(H,60,71)(H,61,78)(H,62,79)(H,63,77)(H,64,81)(H,65,82)(H,66,80)(H,72,73)(H,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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))	BDBM50432264 (CHEMBL2347657) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](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(C)C)C(N)=O |r| Show InChI InChI=1S/C55H81N13O17S/c1-28(2)23-34(48(78)61-31(46(57)76)19-22-86-5)60-42(71)27-58-53(83)45(29(3)4)66-50(80)35(24-30-11-7-6-8-12-30)63-47(77)32(16-18-43(72)73)62-49(79)36(26-44(74)75)64-51(81)38-13-10-21-68(38)55(85)37(25-40(56)69)65-52(82)39-14-9-20-67(39)54(84)33-15-17-41(70)59-33/h6-8,11-12,28-29,31-39,45H,9-10,13-27H2,1-5H3,(H2,56,69)(H2,57,76)(H,58,83)(H,59,70)(H,60,71)(H,61,78)(H,62,79)(H,63,77)(H,64,81)(H,65,82)(H,66,80)(H,72,73)(H,74,75)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,45-/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	0.0790	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