BDBM50432244 CHEMBL2347512

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](CCCCN)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=GOJIPEJMZLZSJH-NVAZTIMOSA-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 = 50432244   

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))	BDBM50432244 (CHEMBL2347512) 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](CCCCN)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/C57H84N14O14S2/c1-33(2)24-41(53(81)65-38(49(60)77)19-22-86-4)64-46(72)31-62-56(84)45(26-35-16-10-7-11-17-35)71(3)57(85)44(25-34-14-8-6-9-15-34)70-51(79)39(18-12-13-21-58)67-55(83)43(29-48(75)76)69-54(82)42(27-36-30-61-32-63-36)68-52(80)40(20-23-87-5)66-50(78)37(59)28-47(73)74/h6-11,14-17,30,32-33,37-45H,12-13,18-29,31,58-59H2,1-5H3,(H2,60,77)(H,61,63)(H,62,84)(H,64,72)(H,65,81)(H,66,78)(H,67,83)(H,68,80)(H,69,82)(H,70,79)(H,73,74)(H,75,76)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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))	BDBM50432244 (CHEMBL2347512) 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](CCCCN)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/C57H84N14O14S2/c1-33(2)24-41(53(81)65-38(49(60)77)19-22-86-4)64-46(72)31-62-56(84)45(26-35-16-10-7-11-17-35)71(3)57(85)44(25-34-14-8-6-9-15-34)70-51(79)39(18-12-13-21-58)67-55(83)43(29-48(75)76)69-54(82)42(27-36-30-61-32-63-36)68-52(80)40(20-23-87-5)66-50(78)37(59)28-47(73)74/h6-11,14-17,30,32-33,37-45H,12-13,18-29,31,58-59H2,1-5H3,(H2,60,77)(H,61,63)(H,62,84)(H,64,72)(H,65,81)(H,66,78)(H,67,83)(H,68,80)(H,69,82)(H,70,79)(H,73,74)(H,75,76)/t37-,38-,39-,40-,41-,42-,43-,44-,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	0.0260	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