BDBM163433 BA-1049::US9687483, 1

SMILES: C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=MGLIYKZFLDTAMW-GFCCVEGCSA-N

Data: 3 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 11 hits for monomerid = 163433   

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 2 (Rattus norvegicus (Rat))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	23
BIOAXONE BIOSCIENCES, INC. US Patent					Assay Description The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...				US Patent US9687483 (2017) BindingDB Entry DOI: 10.7270/Q2H993CZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Rattus norvegicus (Rat))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	23
BIOAXONE BIOSCIENCES, INC. US Patent					Assay Description The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...				US Patent US9687483 (2017) BindingDB Entry DOI: 10.7270/Q2H993CZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Rattus norvegicus (Rat))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	23
BIOAXONE BIOSCIENCES, INC. US Patent					Assay Description The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...				US Patent US9687483 (2017) BindingDB Entry DOI: 10.7270/Q2H993CZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM163433 (BA-1049 | US11198680, Compound BA 1049 (R) | US968...) Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair