BDBM50199452 CHEMBL3956531

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC

InChI Key: InChIKey=NVRGCGCMUBRPCN-DHTGQPOCSA-N

Data: 6 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 6 hits for monomerid = 50199452   

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 2B (Homo sapiens (Human))	BDBM50199452 (CHEMBL3956531) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r| Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes incubated in dark for 90 mins by microbeta scintillation counting met...				J Med Chem 59: 11006-11026 (2016) Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50199452 (CHEMBL3956531) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r| Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes incubated for 90 mins under dark condition by microbeta sci...				J Med Chem 59: 11006-11026 (2016) Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199452 (CHEMBL3956531) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r| Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation cou...				J Med Chem 59: 11006-11026 (2016) Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50199452 (CHEMBL3956531) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r| Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...				J Med Chem 59: 11006-11026 (2016) Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50199452 (CHEMBL3956531) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r| Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				J Med Chem 59: 11006-11026 (2016) Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50199452 (CHEMBL3956531) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r| Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s...				J Med Chem 59: 11006-11026 (2016) Article DOI: 10.1021/acs.jmedchem.6b01183 BindingDB Entry DOI: 10.7270/Q2DN4709
					More data for this Ligand-Target Pair