BindingDB PrimarySearch

null

SMILES: [H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50606310
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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US10815234 (2020) BindingDB Entry DOI: 10.7270/Q2RV0STB
CELGENE QUANTICEL RESEARCH, INC. US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US10815234 (2020) BindingDB Entry DOI: 10.7270/Q2RV0STB
CELGENE QUANTICEL RESEARCH, INC. US Patent					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W95F93
TBA					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W95F93
TBA					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W95F93
TBA					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens)	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
TBA					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 \| US20230286979, Isomer 2 of Example...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US10815234 (2020) BindingDB Entry DOI: 10.7270/Q2RV0STB
CELGENE QUANTICEL RESEARCH, INC. US Patent					More data for this Ligand-Target Pair