BDBM50382219 CHEMBL2023843

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)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=GEFZKSCXGJGQEM-HABJHIKCSA-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 = 50382219   

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))	BDBM50382219 (CHEMBL2023843) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)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/C70H127N31O11S/c71-31-8-7-20-49(93-56(102)28-5-2-1-3-10-40-100-41-18-42-101(44-43-100)113(111,112)55-27-11-19-46-45-85-39-30-47(46)55)59(105)86-32-9-4-6-29-57(103)94-50(22-13-34-88-66(75)76)60(106)96-52(24-15-36-90-68(79)80)62(108)98-54(26-17-38-92-70(83)84)64(110)99-53(25-16-37-91-69(81)82)63(109)97-51(23-14-35-89-67(77)78)61(107)95-48(58(72)104)21-12-33-87-65(73)74/h11,19,27,30,39,45,48-54H,1-10,12-18,20-26,28-29,31-38,40-44,71H2,(H2,72,104)(H,86,105)(H,93,102)(H,94,103)(H,95,107)(H,96,106)(H,97,109)(H,98,108)(H,99,110)(H4,73,74,87)(H4,75,76,88)(H4,77,78,89)(H4,79,80,90)(H4,81,82,91)(H4,83,84,92)/t48-,49-,50-,51-,52-,53-,54-/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	0.0200	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity 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))	BDBM50382219 (CHEMBL2023843) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)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/C70H127N31O11S/c71-31-8-7-20-49(93-56(102)28-5-2-1-3-10-40-100-41-18-42-101(44-43-100)113(111,112)55-27-11-19-46-45-85-39-30-47(46)55)59(105)86-32-9-4-6-29-57(103)94-50(22-13-34-88-66(75)76)60(106)96-52(24-15-36-90-68(79)80)62(108)98-54(26-17-38-92-70(83)84)64(110)99-53(25-16-37-91-69(81)82)63(109)97-51(23-14-35-89-67(77)78)61(107)95-48(58(72)104)21-12-33-87-65(73)74/h11,19,27,30,39,45,48-54H,1-10,12-18,20-26,28-29,31-38,40-44,71H2,(H2,72,104)(H,86,105)(H,93,102)(H,94,103)(H,95,107)(H,96,106)(H,97,109)(H,98,108)(H,99,110)(H4,73,74,87)(H4,75,76,88)(H4,77,78,89)(H4,79,80,90)(H4,81,82,91)(H4,83,84,92)/t48-,49-,50-,51-,52-,53-,54-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity 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