BDBM50505699 CHEMBL4443944

SMILES: O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=BYXRGRXAPMVBBG-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 = 50505699   

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))	BDBM50505699 (CHEMBL4443944) Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N7O/c33-25(29-32(23-11-5-2-6-12-23)21-22-9-3-1-4-10-22)28-15-8-16-30-17-19-31(20-18-30)24-26-13-7-14-27-24/h1-7,9-14H,8,15-21H2,(H2,28,29,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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))	BDBM50505699 (CHEMBL4443944) Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N7O/c33-25(29-32(23-11-5-2-6-12-23)21-22-9-3-1-4-10-22)28-15-8-16-30-17-19-31(20-18-30)24-26-13-7-14-27-24/h1-7,9-14H,8,15-21H2,(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	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))	BDBM50505699 (CHEMBL4443944) Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N7O/c33-25(29-32(23-11-5-2-6-12-23)21-22-9-3-1-4-10-22)28-15-8-16-30-17-19-31(20-18-30)24-26-13-7-14-27-24/h1-7,9-14H,8,15-21H2,(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	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))	BDBM50505699 (CHEMBL4443944) Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N7O/c33-25(29-32(23-11-5-2-6-12-23)21-22-9-3-1-4-10-22)28-15-8-16-30-17-19-31(20-18-30)24-26-13-7-14-27-24/h1-7,9-14H,8,15-21H2,(H2,28,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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