BDBM50398946 CHEMBL2179263

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=VUBGOJHJGFQVIC-VEDZNKNSSA-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 = 50398946   

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 (GUINEA PIG)	BDBM50398946 (CHEMBL2179263) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:30.29:3.4| Show InChI InChI=1S/C33H38N2O4/c1-38-33-14-13-31(18-24(33)19-34-27(37)12-9-21-5-3-2-4-6-21)26-17-23-10-11-25(36)29-28(23)32(31,30(33)39-29)15-16-35(26)20-22-7-8-22/h2-6,9-12,22,24,26,30,36H,7-8,13-20H2,1H3,(H,34,37)/b12-9+/t24-,26-,30-,31-,32+,33-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membrane				J Med Chem 55: 9868-74 (2012) Article DOI: 10.1021/jm301096s BindingDB Entry DOI: 10.7270/Q2M909TS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50398946 (CHEMBL2179263) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:30.29:3.4| Show InChI InChI=1S/C33H38N2O4/c1-38-33-14-13-31(18-24(33)19-34-27(37)12-9-21-5-3-2-4-6-21)26-17-23-10-11-25(36)29-28(23)32(31,30(33)39-29)15-16-35(26)20-22-7-8-22/h2-6,9-12,22,24,26,30,36H,7-8,13-20H2,1H3,(H,34,37)/b12-9+/t24-,26-,30-,31-,32+,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR in guinea pig brain membrane				J Med Chem 55: 9868-74 (2012) Article DOI: 10.1021/jm301096s BindingDB Entry DOI: 10.7270/Q2M909TS
					More data for this Ligand-Target Pair