BDBM50432256 CHEMBL2347501

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

InChI Key: InChIKey=BMWCNSDARGSMLP-BTUKXRJVSA-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 = 50432256   

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))	BDBM50432256 (CHEMBL2347501) 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)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C50H71N11O17S/c1-26(2)18-32(45(73)57-31(43(52)71)16-17-79-5)55-37(63)24-53-48(76)36(20-29-14-10-7-11-15-29)61(4)50(78)35(19-28-12-8-6-9-13-28)59-47(75)34(23-41(69)70)58-46(74)33(22-40(67)68)56-38(64)25-54-49(77)42(27(3)62)60-44(72)30(51)21-39(65)66/h6-15,26-27,30-36,42,62H,16-25,51H2,1-5H3,(H2,52,71)(H,53,76)(H,54,77)(H,55,63)(H,56,64)(H,57,73)(H,58,74)(H,59,75)(H,60,72)(H,65,66)(H,67,68)(H,69,70)/t27-,30+,31+,32+,33+,34+,35+,36+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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))	BDBM50432256 (CHEMBL2347501) 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)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C50H71N11O17S/c1-26(2)18-32(45(73)57-31(43(52)71)16-17-79-5)55-37(63)24-53-48(76)36(20-29-14-10-7-11-15-29)61(4)50(78)35(19-28-12-8-6-9-13-28)59-47(75)34(23-41(69)70)58-46(74)33(22-40(67)68)56-38(64)25-54-49(77)42(27(3)62)60-44(72)30(51)21-39(65)66/h6-15,26-27,30-36,42,62H,16-25,51H2,1-5H3,(H2,52,71)(H,53,76)(H,54,77)(H,55,63)(H,56,64)(H,57,73)(H,58,74)(H,59,75)(H,60,72)(H,65,66)(H,67,68)(H,69,70)/t27-,30+,31+,32+,33+,34+,35+,36+,42+/m1/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	0.110	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