BDBM199286 US9221808, 1ah

SMILES: C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1

InChI Key: InChIKey=MQYQXIHEKOMMHJ-GFCCVEGCSA-N

Data: 6 IC50

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 6 hits for monomerid = 199286   

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))	BDBM199286 (US9221808, 1ah) Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM199286 (US9221808, 1ah) Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	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))	BDBM199286 (US9221808, 1ah) Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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 2 (Homo sapiens (Human))	BDBM199286 (US9221808, 1ah) Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM199286 (US9221808, 1ah) Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1	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	43	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM199286 (US9221808, 1ah) Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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