BDBM50051656 9-(1-Phenyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylamine::CHEMBL84331

SMILES: CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc12

InChI Key: InChIKey=MROOOCJVUYFRAZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50051656   

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 (Rattus norvegicus (rat))	BDBM50051656 (9-(1-Phenyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylami...) Show SMILES CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc12 Show InChI InChI=1S/C18H16N4/c1-12(13-7-3-2-4-8-13)22-15-10-6-5-9-14(15)16-17(19)20-11-21-18(16)22/h2-12H,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50051656 (9-(1-Phenyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylami...) Show SMILES CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc12 Show InChI InChI=1S/C18H16N4/c1-12(13-7-3-2-4-8-13)22-15-10-6-5-9-14(15)16-17(19)20-11-21-18(16)22/h2-12H,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair