BDBM50510895 CHEMBL4591601

SMILES: COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC

InChI Key: InChIKey=FAKQRORSGPDDIF-SILNSSARSA-N

Data: 2 KI  4 IC50

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 6 hits for monomerid = 50510895   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair