BindingDB PrimarySearch_ki

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Enter Data

null

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50583640
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
TBA					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NanoLuc-human A1 adenosine receptor expressed in HEK293-A cells assessed as kinetic dissociation constant by NanoBRET competitive...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NLuc human A2B adenosine receptor expressed in HEK293-A cells in presence of 1 uM PSB603 by NanoBRET binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
TBA					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NLuc human A3 adenosine receptor expressed in HEK293-A cells in presence of 1 uM MRS1220 by NanoBRET binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
TBA					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NLuc human A1 adenosine receptor expressed in HEK293-A cells in presence of 1 uM SLV320 by NanoBRET binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NLuc human A2A adenosine receptor expressed in HEK293-A cells in presence of 1 uM ZM241385 by NanoBRET binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
TBA					More data for this Ligand-Target Pair