BDBM50198752 CHEMBL3976694

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

InChI Key: InChIKey=RDVGYJZVBMSCFU-HVWQDESWSA-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 = 50198752   

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))	BDBM50198752 (CHEMBL3976694) Show SMILES Cc1cc(O)cc(C)c1C[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C32H46N8O5/c1-19-15-22(41)16-20(2)23(19)18-27-31(45)38-25(12-8-14-36-32(34)35)29(43)39-26(17-21-9-4-3-5-10-21)30(44)37-24(28(42)40-27)11-6-7-13-33/h3-5,9-10,15-16,24-27,41H,6-8,11-14,17-18,33H2,1-2H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H4,34,35,36)/t24-,25+,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50198752 (CHEMBL3976694) Show SMILES Cc1cc(O)cc(C)c1C[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C32H46N8O5/c1-19-15-22(41)16-20(2)23(19)18-27-31(45)38-25(12-8-14-36-32(34)35)29(43)39-26(17-21-9-4-3-5-10-21)30(44)37-24(28(42)40-27)11-6-7-13-33/h3-5,9-10,15-16,24-27,41H,6-8,11-14,17-18,33H2,1-2H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H4,34,35,36)/t24-,25+,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	263	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))	BDBM50198752 (CHEMBL3976694) Show SMILES Cc1cc(O)cc(C)c1C[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C32H46N8O5/c1-19-15-22(41)16-20(2)23(19)18-27-31(45)38-25(12-8-14-36-32(34)35)29(43)39-26(17-21-9-4-3-5-10-21)30(44)37-24(28(42)40-27)11-6-7-13-33/h3-5,9-10,15-16,24-27,41H,6-8,11-14,17-18,33H2,1-2H3,(H,37,44)(H,38,45)(H,39,43)(H,40,42)(H4,34,35,36)/t24-,25+,26-,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	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