BDBM50382216 CHEMBL2023839

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=KQYHBORNRULETM-HAVSUIOUSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50382216   

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 (Homo sapiens (Human))	BDBM50382216 (CHEMBL2023839) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C66H119N33O13S/c67-25-4-3-14-43(93-51(101)24-34-83-52(102)38-82-39-53(103)84-35-36-92-113(111,112)49-21-6-13-40-37-81-33-23-41(40)49)55(105)85-26-5-1-2-22-50(100)94-44(16-8-28-87-62(71)72)56(106)96-46(18-10-30-89-64(75)76)58(108)98-48(20-12-32-91-66(79)80)60(110)99-47(19-11-31-90-65(77)78)59(109)97-45(17-9-29-88-63(73)74)57(107)95-42(54(68)104)15-7-27-86-61(69)70/h6,13,21,23,33,37,42-48,82,92H,1-5,7-12,14-20,22,24-32,34-36,38-39,67H2,(H2,68,104)(H,83,102)(H,84,103)(H,85,105)(H,93,101)(H,94,100)(H,95,107)(H,96,106)(H,97,109)(H,98,108)(H,99,110)(H4,69,70,86)(H4,71,72,87)(H4,73,74,88)(H4,75,76,89)(H4,77,78,90)(H4,79,80,91)/t42-,43-,44-,45-,46-,47-,48-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50382216 (CHEMBL2023839) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C66H119N33O13S/c67-25-4-3-14-43(93-51(101)24-34-83-52(102)38-82-39-53(103)84-35-36-92-113(111,112)49-21-6-13-40-37-81-33-23-41(40)49)55(105)85-26-5-1-2-22-50(100)94-44(16-8-28-87-62(71)72)56(106)96-46(18-10-30-89-64(75)76)58(108)98-48(20-12-32-91-66(79)80)60(110)99-47(19-11-31-90-65(77)78)59(109)97-45(17-9-29-88-63(73)74)57(107)95-42(54(68)104)15-7-27-86-61(69)70/h6,13,21,23,33,37,42-48,82,92H,1-5,7-12,14-20,22,24-32,34-36,38-39,67H2,(H2,68,104)(H,83,102)(H,84,103)(H,85,105)(H,93,101)(H,94,100)(H,95,107)(H,96,106)(H,97,109)(H,98,108)(H,99,110)(H4,69,70,86)(H4,71,72,87)(H4,73,74,88)(H4,75,76,89)(H4,77,78,90)(H4,79,80,91)/t42-,43-,44-,45-,46-,47-,48-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
					More data for this Ligand-Target Pair