BDBM50166976 CHEMBL3799455

SMILES: COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1

InChI Key: InChIKey=ROTBWFGDDNEYCJ-UHFFFAOYSA-N

Data: 7 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 9 hits for monomerid = 50166976   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at human D2S receptor expressed in HEK293 cells cotransfected with Gqi5 protein assessed as [3H]IP3 accumulation after 120 mins by s...				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50166976 (CHEMBL3799455) Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at ARMS2-PK-tagged D2S receptor (unknown origin) transfected in HEK293 cells after 5 hrs by beta-arrestin assay				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair