BDBM50505695 CHEMBL4550633

SMILES: COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1

InChI Key: InChIKey=LNBKOOVQBZWETK-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 = 50505695   

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))	BDBM50505695 (CHEMBL4550633) Show SMILES COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H36FN5O3/c1-37-26-8-5-7-23(21-26)22-35(25-13-11-24(30)12-14-25)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	5.90	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))	BDBM50505695 (CHEMBL4550633) Show SMILES COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H36FN5O3/c1-37-26-8-5-7-23(21-26)22-35(25-13-11-24(30)12-14-25)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	62	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))	BDBM50505695 (CHEMBL4550633) Show SMILES COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H36FN5O3/c1-37-26-8-5-7-23(21-26)22-35(25-13-11-24(30)12-14-25)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	110	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))	BDBM50505695 (CHEMBL4550633) Show SMILES COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1 Show InChI InChI=1S/C29H36FN5O3/c1-37-26-8-5-7-23(21-26)22-35(25-13-11-24(30)12-14-25)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	150	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