Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'bhumireddy' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM50057651 (CHEMBL3326454) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-435 cells after 30 mins				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547958 (CHEMBL4789918) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCC(F)C1)N1CCOCC1 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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547947 (CHEMBL4760206) Show SMILES O=C(Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1 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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547949 (CHEMBL4743091) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547959 (CHEMBL4750630) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(O)CC1)N1CCOCC1 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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547962 (CHEMBL4784665) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(F)CC1)N1CCOCC1 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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547955 (CHEMBL4796558) Show SMILES O[C@H]1CCN(C1)c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r| 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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547954 (CHEMBL4763990) Show SMILES COc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547953 (CHEMBL4790506) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547961 (CHEMBL4777409) Show SMILES CCC1(O)CCCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)-c1ccnc(C)c1)N1CCOCC1 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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547946 (CHEMBL4757687) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1 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	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547963 (CHEMBL4757349) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](F)C1)N1CCOCC1 |r| 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	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547948 (CHEMBL4742305) Show SMILES O=C(Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1 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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547950 (CHEMBL4748475) Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547965 (CHEMBL4741488) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@H](O)C1)N1CCOCC1 |r| 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	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547952 (CHEMBL4757094) Show SMILES O[C@H]1CCN(C1)c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r| 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	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547956 (CHEMBL4748082) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1C1CC1)N1CCOCC1 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	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547947 (CHEMBL4760206) Show SMILES O=C(Nc1cc2oc(nc2cc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1 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	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547960 (CHEMBL4755398) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](N)C1)N1CCOCC1 |r| 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	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547948 (CHEMBL4742305) Show SMILES O=C(Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1)c1cccc(n1)-c1cn[nH]c1 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	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547951 (CHEMBL4791469) Show SMILES N[C@H]1CCN(C1)c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1 |r| 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	104	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547965 (CHEMBL4741488) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@H](O)C1)N1CCOCC1 |r| 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	233	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human MV4-11 cells assessed as modulation of phospho-IRAK1 level by immunoblotting analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547945 (CHEMBL4790504) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(oc2c1)N1CCOCC1 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	397	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547957 (CHEMBL4790895) Show SMILES O[C@H]1CCN(C1)c1nc(co1)C(=O)Nc1cc2oc(nc2nc1C1CC1)N1CCOCC1 |r| 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	505	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	696	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human whole blood assessed as inhibition of TLR5-mediated FLA-ST-induced IL-6 release preincubated for 1 hr followed by FLA-ST...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50057651 (CHEMBL3326454) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor (unknown origin) incubated for 4 hrs				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547944 (CHEMBL4788562) Show SMILES O=C(Nc1ccc2nc(oc2c1)N1CCOCC1)c1cccc(n1)-c1cccnc1 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	797	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	989	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human whole blood assessed as inhibition of TLR2-mediated LTA-induced IL-6 release preincubated for 1 hr followed by LTA stimu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50057651 (CHEMBL3326454) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) incubated for 4 hrs				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50057651 (CHEMBL3326454) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to estrogen receptor (unknown origin) incubated for 4 hrs				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547966 (CHEMBL4747796) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cnc2nc(oc2c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547967 (CHEMBL4757221) Show SMILES Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(oc2n1)N1CCOCC1 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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IRAK4 in human whole blood assessed as inhibition of IL-1R-mediated IL-1beta-induced IL-6 release preincubated for 1 hr followed by IL-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50547943 (CHEMBL4789126) Show SMILES O=C(Nc1ccc2nc(oc2c1)N1CCOCC1)c1cccc(n1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50547964 (CHEMBL4783351) Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00255 BindingDB Entry DOI: 10.7270/Q28G8QB4
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057645 (CHEMBL3326460) Show SMILES [H][C@@]12[C@@H](F)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H15ClFN3O/c1-8-10(4-3-9(7-18)12(8)16)13-15(21-2)14-11(17)5-6-20(14)19-13/h3-4,11,14-15H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057644 (CHEMBL3326461) Show SMILES [H][C@@]12[C@H](F)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H15ClFN3O/c1-8-10(4-3-9(7-18)12(8)16)13-15(21-2)14-11(17)5-6-20(14)19-13/h3-4,11,14-15H,5-6H2,1-2H3/t11-,14+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.160	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057643 (CHEMBL3326462) Show SMILES [H][C@@]12C[C@@H](O)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-11(4-3-9(6-17)13(8)16)14-15(21-2)12-5-10(20)7-19(12)18-14/h3-4,10,12,15,20H,5,7H2,1-2H3/t10-,12+,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.70	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057642 (CHEMBL3326464) Show SMILES [H][C@@]12C[C@H](F)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H15ClFN3O/c1-8-11(4-3-9(6-18)13(8)16)14-15(21-2)12-5-10(17)7-20(12)19-14/h3-4,10,12,15H,5,7H2,1-2H3/t10-,12-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057647 (CHEMBL3326458) Show SMILES [H][C@@]12[C@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057648 (CHEMBL3326457) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OCCOC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C17H20ClN3O3/c1-10-12(4-3-11(9-19)14(10)18)15-17(24-8-7-23-2)16-13(22)5-6-21(16)20-15/h3-4,13,16-17,22H,5-8H2,1-2H3/t13-,16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.930	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057646 (CHEMBL3326459) Show SMILES [H][C@@]12[C@H](CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C)OC |r,c:7| Show InChI InChI=1S/C16H18ClN3O2/c1-9-11(5-4-10(8-18)13(9)17)14-16(22-3)15-12(21-2)6-7-20(15)19-14/h4-5,12,15-16H,6-7H2,1-3H3/t12-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.10	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057649 (CHEMBL3326456) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC(C)C)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C17H20ClN3O2/c1-9(2)23-17-15(20-21-7-6-13(22)16(17)21)12-5-4-11(8-19)14(18)10(12)3/h4-5,9,13,16-17,22H,6-7H2,1-3H3/t13-,16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057640 (CHEMBL3326466) Show SMILES [H][C@@]12CC(F)(F)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:9| Show InChI InChI=1S/C15H14ClF2N3O/c1-8-10(4-3-9(6-19)12(8)16)13-14(22-2)11-5-15(17,18)7-21(11)20-13/h3-4,11,14H,5,7H2,1-2H3/t11-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057650 (CHEMBL3326455) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OCC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C16H18ClN3O2/c1-3-22-16-14(19-20-7-6-12(21)15(16)20)11-5-4-10(8-18)13(17)9(11)2/h4-5,12,15-16,21H,3,6-7H2,1-2H3/t12-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50057651 (CHEMBL3326454) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50057652 (CHEMBL3326453) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2O)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C14H14ClN3O2/c1-7-9(3-2-8(6-16)11(7)15)12-14(20)13-10(19)4-5-18(13)17-12/h2-3,10,13-14,19-20H,4-5H2,1H3/t10-,13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	978	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assa...				J Med Chem 57: 7396-411 (2014) Article DOI: 10.1021/jm5009049 BindingDB Entry DOI: 10.7270/Q2RB768M
					More data for this Ligand-Target Pair

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