BDBM50199459 CHEMBL3905850

SMILES: [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12

InChI Key: InChIKey=PSZUVLHNNPZVCD-XRPRFISDSA-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 = 50199459   

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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50199459 (CHEMBL3905850) Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	103	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
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50199459 (CHEMBL3905850) Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	163	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))	BDBM50199459 (CHEMBL3905850) Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	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
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50199459 (CHEMBL3905850) Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.24E+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 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50199459 (CHEMBL3905850) Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from recombinant human adenosine receptor A2A expressed i...				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))	BDBM50199459 (CHEMBL3905850) Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H](C(C)C)C3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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