BDBM50505702 CHEMBL4465002

SMILES: COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1

InChI Key: InChIKey=FKJFAUSZKZYNCF-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 = 50505702   

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))	BDBM50505702 (CHEMBL4465002) Show SMILES COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C27H32FN5O2/c1-35-26-10-6-5-9-25(26)32-19-17-31(18-20-32)16-15-29-27(34)30-33(21-22-7-3-2-4-8-22)24-13-11-23(28)12-14-24/h2-14H,15-21H2,1H3,(H2,29,30,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	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))	BDBM50505702 (CHEMBL4465002) Show SMILES COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C27H32FN5O2/c1-35-26-10-6-5-9-25(26)32-19-17-31(18-20-32)16-15-29-27(34)30-33(21-22-7-3-2-4-8-22)24-13-11-23(28)12-14-24/h2-14H,15-21H2,1H3,(H2,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	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))	BDBM50505702 (CHEMBL4465002) Show SMILES COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C27H32FN5O2/c1-35-26-10-6-5-9-25(26)32-19-17-31(18-20-32)16-15-29-27(34)30-33(21-22-7-3-2-4-8-22)24-13-11-23(28)12-14-24/h2-14H,15-21H2,1H3,(H2,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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))	BDBM50505702 (CHEMBL4465002) Show SMILES COc1ccccc1N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C27H32FN5O2/c1-35-26-10-6-5-9-25(26)32-19-17-31(18-20-32)16-15-29-27(34)30-33(21-22-7-3-2-4-8-22)24-13-11-23(28)12-14-24/h2-14H,15-21H2,1H3,(H2,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	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