BDBM50430594 CHEMBL2338737

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

InChI Key: InChIKey=CPUKLCWBGATLOH-JOGQASFZSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50430594   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50430594 (CHEMBL2338737) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:23.22:4.3| Show InChI InChI=1S/C27H37NO4/c1-15(2)22(30)18-13-25-8-9-27(18,31-3)24-26(25)10-11-28(14-16-4-5-16)20(25)12-17-6-7-19(29)23(32-24)21(17)26/h6-7,15-16,18,20,22,24,29-30H,4-5,8-14H2,1-3H3/t18-,20-,22-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0670	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]-diprenorphine from human KOR expressed in CHO cells				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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50430594 (CHEMBL2338737) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:23.22:4.3| Show InChI InChI=1S/C27H37NO4/c1-15(2)22(30)18-13-25-8-9-27(18,31-3)24-26(25)10-11-28(14-16-4-5-16)20(25)12-17-6-7-19(29)23(32-24)21(17)26/h6-7,15-16,18,20,22,24,29-30H,4-5,8-14H2,1-3H3/t18-,20-,22-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	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]-diprenorphine from rat recombinant MOR expressed in rat C6 cells after 2 hrs				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 (Homo sapiens (Human))	BDBM50430594 (CHEMBL2338737) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:23.22:4.3| Show InChI InChI=1S/C27H37NO4/c1-15(2)22(30)18-13-25-8-9-27(18,31-3)24-26(25)10-11-28(14-16-4-5-16)20(25)12-17-6-7-19(29)23(32-24)21(17)26/h6-7,15-16,18,20,22,24,29-30H,4-5,8-14H2,1-3H3/t18-,20-,22-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.630	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50430594 (CHEMBL2338737) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:23.22:4.3| Show InChI InChI=1S/C27H37NO4/c1-15(2)22(30)18-13-25-8-9-27(18,31-3)24-26(25)10-11-28(14-16-4-5-16)20(25)12-17-6-7-19(29)23(32-24)21(17)26/h6-7,15-16,18,20,22,24,29-30H,4-5,8-14H2,1-3H3/t18-,20-,22-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at rat recombinant MOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr				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