BDBM50505723 CHEMBL4572646

SMILES: Ic1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=MUTWETFLNKEWCG-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 = 50505723   

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))	BDBM50505723 (CHEMBL4572646) Show SMILES Ic1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C27H32IN5O/c28-24-12-14-25(15-13-24)32-20-18-31(19-21-32)17-7-16-29-27(34)30-33(26-10-5-2-6-11-26)22-23-8-3-1-4-9-23/h1-6,8-15H,7,16-22H2,(H2,29,30,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	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))	BDBM50505723 (CHEMBL4572646) Show SMILES Ic1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C27H32IN5O/c28-24-12-14-25(15-13-24)32-20-18-31(19-21-32)17-7-16-29-27(34)30-33(26-10-5-2-6-11-26)22-23-8-3-1-4-9-23/h1-6,8-15H,7,16-22H2,(H2,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	670	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))	BDBM50505723 (CHEMBL4572646) Show SMILES Ic1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C27H32IN5O/c28-24-12-14-25(15-13-24)32-20-18-31(19-21-32)17-7-16-29-27(34)30-33(26-10-5-2-6-11-26)22-23-8-3-1-4-9-23/h1-6,8-15H,7,16-22H2,(H2,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	690	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))	BDBM50505723 (CHEMBL4572646) Show SMILES Ic1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C27H32IN5O/c28-24-12-14-25(15-13-24)32-20-18-31(19-21-32)17-7-16-29-27(34)30-33(26-10-5-2-6-11-26)22-23-8-3-1-4-9-23/h1-6,8-15H,7,16-22H2,(H2,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+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