BDBM50430604 CHEMBL2338755

SMILES: CCCCC[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O

InChI Key: InChIKey=NVZMDBQREWGWJI-XELDOGJXSA-N

Data: 2 KI  1 IC50

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 = 50430604   

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)	BDBM50430604 (CHEMBL2338755) Show SMILES CCCCC[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:5:8:30.16:11.12| Show InChI InChI=1S/C30H43NO4/c1-4-5-6-11-27(2,33)22-17-28-12-13-30(22,34-3)26-29(28)14-15-31(18-19-7-8-19)23(28)16-20-9-10-21(32)25(35-26)24(20)29/h9-10,19,22-23,26,32-33H,4-8,11-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Hartley guinea pig membrane				J Med Chem 56: 3207-16 (2013) Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50430604 (CHEMBL2338755) Show SMILES CCCCC[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:5:8:30.16:11.12| Show InChI InChI=1S/C30H43NO4/c1-4-5-6-11-27(2,33)22-17-28-12-13-30(22,34-3)26-29(28)14-15-31(18-19-7-8-19)23(28)16-20-9-10-21(32)25(35-26)24(20)29/h9-10,19,22-23,26,32-33H,4-8,11-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 56: 3207-16 (2013) Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50430604 (CHEMBL2338755) Show SMILES CCCCC[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:5:8:30.16:11.12| Show InChI InChI=1S/C30H43NO4/c1-4-5-6-11-27(2,33)22-17-28-12-13-30(22,34-3)26-29(28)14-15-31(18-19-7-8-19)23(28)16-20-9-10-21(32)25(35-26)24(20)29/h9-10,19,22-23,26,32-33H,4-8,11-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 56: 3207-16 (2013) Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q
					More data for this Ligand-Target Pair