BDBM50236880 CHEMBL4102311

SMILES: [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)NC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NMNKHDCMGOTGHX-QNWVGRARSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50236880   

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 (Cavia porcellus (domestic guinea pig))	BDBM50236880 (CHEMBL4102311) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)NC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H34Cl2N4O2/c1-16(2)27-24(32)29-12-13-30(22(31)15-17-8-9-18(25)19(26)14-17)23-20(6-5-7-21(23)29)28-10-3-4-11-28/h8-9,14,16,20-21,23H,3-7,10-13,15H2,1-2H3,(H,27,32)/t20-,21-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Inhibitory activity towards Beta-Glucosidase from Almond				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50236880 (CHEMBL4102311) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)NC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H34Cl2N4O2/c1-16(2)27-24(32)29-12-13-30(22(31)15-17-8-9-18(25)19(26)14-17)23-20(6-5-7-21(23)29)28-10-3-4-11-28/h8-9,14,16,20-21,23H,3-7,10-13,15H2,1-2H3,(H,27,32)/t20-,21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Agonist activity at recombinant human kappa-type opioid receptor expressed in HEK293 cells after 30 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair