BDBM50236328 CHEMBL4099798

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1

InChI Key: InChIKey=JCYQNPLHYOAPCP-UHFFFAOYSA-N

Data: 1 IC50  4 EC50

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 5 hits for monomerid = 50236328   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50236328 (CHEMBL4099798) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1 Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein				J Med Chem 60: 2287-2304 (2017) Article DOI: 10.1021/acs.jmedchem.6b01578 BindingDB Entry DOI: 10.7270/Q29S1T9P
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236328 (CHEMBL4099798) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1 Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay				J Med Chem 60: 2287-2304 (2017) Article DOI: 10.1021/acs.jmedchem.6b01578 BindingDB Entry DOI: 10.7270/Q29S1T9P
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50236328 (CHEMBL4099798) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1 Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followe...				J Med Chem 60: 2287-2304 (2017) Article DOI: 10.1021/acs.jmedchem.6b01578 BindingDB Entry DOI: 10.7270/Q29S1T9P
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236328 (CHEMBL4099798) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1 Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay				J Med Chem 60: 2287-2304 (2017) Article DOI: 10.1021/acs.jmedchem.6b01578 BindingDB Entry DOI: 10.7270/Q29S1T9P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236328 (CHEMBL4099798) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)CC1 Show InChI InChI=1S/C29H34N4O4/c1-36-27-13-3-2-12-26(27)33-18-16-32(17-19-33)15-5-4-14-31-29(35)37-25-11-7-9-23(21-25)22-8-6-10-24(20-22)28(30)34/h2-3,6-13,20-21H,4-5,14-19H2,1H3,(H2,30,34)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cA...				J Med Chem 60: 2287-2304 (2017) Article DOI: 10.1021/acs.jmedchem.6b01578 BindingDB Entry DOI: 10.7270/Q29S1T9P
					More data for this Ligand-Target Pair