BDBM50432247 CHEMBL2347509

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

InChI Key: InChIKey=UQHFJHBHUFASGB-UTALAWHWSA-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 = 50432247   

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))	BDBM50432247 (CHEMBL2347509) 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](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C55H77N13O16S2/c1-30(2)20-37(50(79)62-35(47(57)76)16-18-85-4)61-43(69)28-59-54(83)42(22-32-14-10-7-11-15-32)68(3)55(84)41(21-31-12-8-6-9-13-31)67-53(82)40(26-46(74)75)66-52(81)39(25-45(72)73)65-51(80)38(23-33-27-58-29-60-33)64-49(78)36(17-19-86-5)63-48(77)34(56)24-44(70)71/h6-15,27,29-30,34-42H,16-26,28,56H2,1-5H3,(H2,57,76)(H,58,60)(H,59,83)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,81)(H,67,82)(H,70,71)(H,72,73)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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))	BDBM50432247 (CHEMBL2347509) 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](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C55H77N13O16S2/c1-30(2)20-37(50(79)62-35(47(57)76)16-18-85-4)61-43(69)28-59-54(83)42(22-32-14-10-7-11-15-32)68(3)55(84)41(21-31-12-8-6-9-13-31)67-53(82)40(26-46(74)75)66-52(81)39(25-45(72)73)65-51(80)38(23-33-27-58-29-60-33)64-49(78)36(17-19-86-5)63-48(77)34(56)24-44(70)71/h6-15,27,29-30,34-42H,16-26,28,56H2,1-5H3,(H2,57,76)(H,58,60)(H,59,83)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,81)(H,67,82)(H,70,71)(H,72,73)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/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	0.0400	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