BDBM50432258 CHEMBL2347499

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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O

InChI Key: InChIKey=DXPAKNOAILGNBU-OAJPUJNSSA-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 = 50432258   

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))	BDBM50432258 (CHEMBL2347499) 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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C63H94N14O19S/c1-34(2)26-41(56(89)69-39(53(66)86)22-25-97-6)68-48(79)32-67-60(93)47(28-37-18-11-8-12-19-37)76(5)62(95)44(27-36-16-9-7-10-17-36)73-58(91)43(31-51(84)85)71-57(90)42(30-50(82)83)72-59(92)45(33-78)74-55(88)40(20-13-14-23-64)70-61(94)46-21-15-24-77(46)63(96)52(35(3)4)75-54(87)38(65)29-49(80)81/h7-12,16-19,34-35,38-47,52,78H,13-15,20-33,64-65H2,1-6H3,(H2,66,86)(H,67,93)(H,68,79)(H,69,89)(H,70,94)(H,71,90)(H,72,92)(H,73,91)(H,74,88)(H,75,87)(H,80,81)(H,82,83)(H,84,85)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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))	BDBM50432258 (CHEMBL2347499) 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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C63H94N14O19S/c1-34(2)26-41(56(89)69-39(53(66)86)22-25-97-6)68-48(79)32-67-60(93)47(28-37-18-11-8-12-19-37)76(5)62(95)44(27-36-16-9-7-10-17-36)73-58(91)43(31-51(84)85)71-57(90)42(30-50(82)83)72-59(92)45(33-78)74-55(88)40(20-13-14-23-64)70-61(94)46-21-15-24-77(46)63(96)52(35(3)4)75-54(87)38(65)29-49(80)81/h7-12,16-19,34-35,38-47,52,78H,13-15,20-33,64-65H2,1-6H3,(H2,66,86)(H,67,93)(H,68,79)(H,69,89)(H,70,94)(H,71,90)(H,72,92)(H,73,91)(H,74,88)(H,75,87)(H,80,81)(H,82,83)(H,84,85)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/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	0.0850	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