BDBM50432266 CHEMBL2347497

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]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O

InChI Key: InChIKey=NZEYGRMERSXPLV-FSLKYBNLSA-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 = 50432266   

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))	BDBM50432266 (CHEMBL2347497) 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]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C56H79N13O14S2/c1-32(2)23-39(51(78)63-37(48(58)75)18-21-84-4)62-45(70)30-60-53(80)44(25-34-15-10-7-11-16-34)68(3)55(82)41(24-33-13-8-6-9-14-33)67-54(81)43-17-12-20-69(43)56(83)42(28-47(73)74)66-52(79)40(26-35-29-59-31-61-35)65-50(77)38(19-22-85-5)64-49(76)36(57)27-46(71)72/h6-11,13-16,29,31-32,36-44H,12,17-28,30,57H2,1-5H3,(H2,58,75)(H,59,61)(H,60,80)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,79)(H,67,81)(H,71,72)(H,73,74)/t36-,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	0.0410	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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50432266 (CHEMBL2347497) 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]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C56H79N13O14S2/c1-32(2)23-39(51(78)63-37(48(58)75)18-21-84-4)62-45(70)30-60-53(80)44(25-34-15-10-7-11-16-34)68(3)55(82)41(24-33-13-8-6-9-14-33)67-54(81)43-17-12-20-69(43)56(83)42(28-47(73)74)66-52(79)40(26-35-29-59-31-61-35)65-50(77)38(19-22-85-5)64-49(76)36(57)27-46(71)72/h6-11,13-16,29,31-32,36-44H,12,17-28,30,57H2,1-5H3,(H2,58,75)(H,59,61)(H,60,80)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,79)(H,67,81)(H,71,72)(H,73,74)/t36-,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	45	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