null

SMILES: Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1

InChI Key: InChIKey=GDVRVPIXWXOKQO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 27 hits for monomerid = 199250   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...				US Patent US9221808 (2015) BindingDB Entry DOI: 10.7270/Q2Z036ZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...				US Patent US9221808 (2015) BindingDB Entry DOI: 10.7270/Q2Z036ZG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...				US Patent US9221808 (2015) BindingDB Entry DOI: 10.7270/Q2Z036ZG
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...				US Patent US9221808 (2015) BindingDB Entry DOI: 10.7270/Q2Z036ZG
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...				US Patent US9221808 (2015) BindingDB Entry DOI: 10.7270/Q2Z036ZG
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway 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	8	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged ROCK1 (1 to 535) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of MLCK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway 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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB 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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of LIMK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway 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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of RSK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway 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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	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	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of SGK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of CK1-alpha1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Myotonin-protein kinase (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of DMPK (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of MRCKalpha (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase N1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of PKN1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway 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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of Aurora-A (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB 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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of p70S6K (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of TBK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of IKKepsilon (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin)				Medchemcomm 3: 699-709 (2012) Article DOI: 10.1039/c2md00320a BindingDB Entry DOI: 10.7270/Q2571G0R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM199250 (US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...) Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...				US Patent US9221808 (2015) BindingDB Entry DOI: 10.7270/Q2Z036ZG
					More data for this Ligand-Target Pair				3D Structure (crystal)