BDBM50367589 CHEMBL3144091::CHEMBL611126

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O

InChI Key: InChIKey=OOFGDKLZKHQJPO-IKGLVZMJSA-N

Data: 2 KI

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 = 50367589   

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
Adenosine receptor (Rattus norvegicus (rat))	BDBM50367589 (CHEMBL3144091 | CHEMBL611126) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H61N11O10S/c1-28(2)20-34(47(68)58-33(43(50)66)18-19-71-3)57-39(63)24-51-46(67)35(21-29-10-6-4-7-11-29)59-48(69)36(22-30-12-8-5-9-13-30)56-38(62)23-31-14-16-32(17-15-31)55-44-40-45(53-26-52-44)60(27-54-40)49-42(65)41(64)37(25-61)70-49/h4-17,26-28,33-37,41-42,49,61,64-65H,18-25H2,1-3H3,(H2,50,66)(H,51,67)(H,56,62)(H,57,63)(H,58,68)(H,59,69)(H,52,53,55)/t33?,34?,35?,36?,37-,41-,42-,49?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50367589 (CHEMBL3144091 | CHEMBL611126) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H61N11O10S/c1-28(2)20-34(47(68)58-33(43(50)66)18-19-71-3)57-39(63)24-51-46(67)35(21-29-10-6-4-7-11-29)59-48(69)36(22-30-12-8-5-9-13-30)56-38(62)23-31-14-16-32(17-15-31)55-44-40-45(53-26-52-44)60(27-54-40)49-42(65)41(64)37(25-61)70-49/h4-17,26-28,33-37,41-42,49,61,64-65H,18-25H2,1-3H3,(H2,50,66)(H,51,67)(H,56,62)(H,57,63)(H,58,68)(H,59,69)(H,52,53,55)/t33?,34?,35?,36?,37-,41-,42-,49?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair