BDBM50198758 CHEMBL3908315

SMILES: Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O

InChI Key: InChIKey=JAUDAXVKEGMCPI-CSQIJOFWSA-N

Data: 3 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 3 hits for monomerid = 50198758   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50198758 (CHEMBL3908315) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C31H44N8O5/c1-18-14-21(40)15-19(2)22(18)17-26-30(44)37-24(11-7-13-35-31(33)34)28(42)38-25(16-20-8-4-3-5-9-20)29(43)36-23(10-6-12-32)27(41)39-26/h3-5,8-9,14-15,23-26,40H,6-7,10-13,16-17,32H2,1-2H3,(H,36,43)(H,37,44)(H,38,42)(H,39,41)(H4,33,34,35)/t23?,24-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50198758 (CHEMBL3908315) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C31H44N8O5/c1-18-14-21(40)15-19(2)22(18)17-26-30(44)37-24(11-7-13-35-31(33)34)28(42)38-25(16-20-8-4-3-5-9-20)29(43)36-23(10-6-12-32)27(41)39-26/h3-5,8-9,14-15,23-26,40H,6-7,10-13,16-17,32H2,1-2H3,(H,36,43)(H,37,44)(H,38,42)(H,39,41)(H4,33,34,35)/t23?,24-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from DOR in rat brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50198758 (CHEMBL3908315) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)C(CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C31H44N8O5/c1-18-14-21(40)15-19(2)22(18)17-26-30(44)37-24(11-7-13-35-31(33)34)28(42)38-25(16-20-8-4-3-5-9-20)29(43)36-23(10-6-12-32)27(41)39-26/h3-5,8-9,14-15,23-26,40H,6-7,10-13,16-17,32H2,1-2H3,(H,36,43)(H,37,44)(H,38,42)(H,39,41)(H4,33,34,35)/t23?,24-,25+,26+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membrane measured after 2 hrs				J Med Chem 59: 9243-9254 (2016) Article DOI: 10.1021/acs.jmedchem.6b01200 BindingDB Entry DOI: 10.7270/Q23B623F
					More data for this Ligand-Target Pair