BDBM50099805 4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-adamantan-2-yl-pyrrolidin-2-ylmethyl)-amide::CHEMBL301929

SMILES: COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2

InChI Key: InChIKey=NCPWXKOHFJBWEP-NDKMIFBWSA-N

Data: 3 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 3 hits for monomerid = 50099805   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50099805 (4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)| Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099805 (4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)| Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50099805 (4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)| Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	375	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair