BDBM50430603 CHEMBL2338735

SMILES: CCC[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=UOKRJODYISPCKA-DPJBPYIISA-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 = 50430603   

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)	BDBM50430603 (CHEMBL2338735) Show SMILES CCC[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:3:6:28.14:9.10| Show InChI InChI=1S/C28H39NO4/c1-4-9-25(2,31)20-15-26-10-11-28(20,32-3)24-27(26)12-13-29(16-17-5-6-17)21(26)14-18-7-8-19(30)23(33-24)22(18)27/h7-8,17,20-21,24,30-31H,4-6,9-16H2,1-3H3/t20-,21-,24-,25+,26-,27+,28-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50430603 (CHEMBL2338735) Show SMILES CCC[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:3:6:28.14:9.10| Show InChI InChI=1S/C28H39NO4/c1-4-9-25(2,31)20-15-26-10-11-28(20,32-3)24-27(26)12-13-29(16-17-5-6-17)21(26)14-18-7-8-19(30)23(33-24)22(18)27/h7-8,17,20-21,24,30-31H,4-6,9-16H2,1-3H3/t20-,21-,24-,25+,26-,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50430603 (CHEMBL2338735) Show SMILES CCC[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:3:6:28.14:9.10| Show InChI InChI=1S/C28H39NO4/c1-4-9-25(2,31)20-15-26-10-11-28(20,32-3)24-27(26)12-13-29(16-17-5-6-17)21(26)14-18-7-8-19(30)23(33-24)22(18)27/h7-8,17,20-21,24,30-31H,4-6,9-16H2,1-3H3/t20-,21-,24-,25+,26-,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	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