BDBM50505698 CHEMBL4585384

SMILES: COc1ccc(cc1)N(Cc1cccc(F)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=LJZKZXJPHHZDQF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50505698   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50505698 (CHEMBL4585384) Show SMILES COc1ccc(cc1)N(Cc1cccc(F)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C29H36FN5O3/c1-37-26-13-11-25(12-14-26)35(22-23-7-5-8-24(30)21-23)32-29(36)31-15-6-16-33-17-19-34(20-18-33)27-9-3-4-10-28(27)38-2/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H2,31,32,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50505698 (CHEMBL4585384) Show SMILES COc1ccc(cc1)N(Cc1cccc(F)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C29H36FN5O3/c1-37-26-13-11-25(12-14-26)35(22-23-7-5-8-24(30)21-23)32-29(36)31-15-6-16-33-17-19-34(20-18-33)27-9-3-4-10-28(27)38-2/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H2,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50505698 (CHEMBL4585384) Show SMILES COc1ccc(cc1)N(Cc1cccc(F)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C29H36FN5O3/c1-37-26-13-11-25(12-14-26)35(22-23-7-5-8-24(30)21-23)32-29(36)31-15-6-16-33-17-19-34(20-18-33)27-9-3-4-10-28(27)38-2/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H2,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50505698 (CHEMBL4585384) Show SMILES COc1ccc(cc1)N(Cc1cccc(F)c1)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C29H36FN5O3/c1-37-26-13-11-25(12-14-26)35(22-23-7-5-8-24(30)21-23)32-29(36)31-15-6-16-33-17-19-34(20-18-33)27-9-3-4-10-28(27)38-2/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H2,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay				J Med Chem 62: 9658-9679 (2019) Article DOI: 10.1021/acs.jmedchem.9b01085
					More data for this Ligand-Target Pair