Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50011299 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/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)) | BDBM50546246
(CHEMBL4753043 | US11608319, Compound AR-13503)Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROCK1 expressed in baculovirus expression system by Kinase-Glo luminescent Assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50546246
(CHEMBL4753043 | US11608319, Compound AR-13503)Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROCK2 expressed in baculovirus expression system by Kinase-Glo luminescent Assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM108255
(US8609833, 86)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C16H23N5O3/c1-2-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-5-3-4-6-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to A1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50118812
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to A3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50546247
(AR-11324 FREE BASE | AR-13324 | Netarsudil | US114...)Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROCK2 by Kinase-Glo luminescent assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50546248
(CHEMBL3185765) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ROCK2 (unknown origin) using histone as substrate incubated for 20 mins in presence of [gamma32P]-ATP by liquid scintillation counter m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM50546243
(CHEMBL4753864)Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)N[C@@H](C)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cccnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CFD in 10% human serum assessed as reduction in alternate complement pathway-mediated hemolysis incubated for 1 hr |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50087135
(CHEMBL3426621)Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 |r| Show InChI InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal GST-fused human ROCK2 catalytic domain ( 1 to 553 residues) expressed in baculovirus expression system using Long S6 Kinase ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM50201565
(CHEMBL3941259)Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cccnc12 |r| Show InChI InChI=1S/C20H18BrN7O3/c21-14-4-1-5-15(24-14)25-20(31)13-8-10-7-12(10)28(13)16(29)9-27-19-11(3-2-6-23-19)17(26-27)18(22)30/h1-6,10,12-13H,7-9H2,(H2,22,30)(H,24,25,31)/t10-,12-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CFD in 50% human whole blood assessed as reduction in alternate complement pathway-mediated MAC formation pre-incubated for 15 mins fol... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50087135
(CHEMBL3426621)Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 |r| Show InChI InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal GST-fused human ROCK1 catalytic domain ( 1 to 477 residues) expressed in baculovirus expression system using Long S6 Kinase ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM50546243
(CHEMBL4753864)Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)N[C@@H](C)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cccnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CFD in human RBC model of anti-CD55/anti-CD59-induced paroxysmal nocturnal hemoglobinuria assessed as reduction in complement fragment ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM50546243
(CHEMBL4753864)Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)N[C@@H](C)c1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cccnc12 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CFD in 50% human whole blood assessed as reduction in alternate complement pathway-mediated MAC formation pre-incubated for 15 mins fol... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement C5
(Homo sapiens) | BDBM50546241
(CHEMBL2203296)Show SMILES CCCCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C5 complement protein in 2% human serum incubated for 15 mins |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ROCK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Complement C5
(Homo sapiens) | BDBM50546240
(CHEMBL2204196)Show SMILES COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C5 complement protein in 2% human serum incubated for 15 mins |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement C5
(Homo sapiens) | BDBM50546242
(CHEMBL4756677)Show SMILES COc1cc(C(O)=O)c(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C5 complement protein in 2% human serum incubated for 15 mins |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM203868
((S)-N2-benzhydryl-N1-(1-methyl-1H-indol-3-yl)pyrro...)Show SMILES Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C28H28N4O2/c1-31-19-23(22-15-8-9-16-24(22)31)29-28(34)32-18-10-17-25(32)27(33)30-26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-16,19,25-26H,10,17-18H2,1H3,(H,29,34)(H,30,33)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CFD catalytic domain (G24 to A253 residues) expressed in Escherichia coli (Rosetta) using Z-Lys-thiobenzyl and 2,4-di... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM203865
(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)Show SMILES COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | >1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CFD catalytic domain (G24 to A253 residues) expressed in Escherichia coli (Rosetta) using Z-Lys-thiobenzyl and 2,4-di... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Complement factor D
(Homo sapiens (Human)) | BDBM203864
((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...)Show SMILES COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3ccccc23)cc1 |r| Show InChI InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CFD catalytic domain (G24 to A253 residues) expressed in Escherichia coli (Rosetta) using Z-Lys-thiobenzyl and 2,4-di... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50546244
(CHEMBL4757532)Show SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(CO[N+]([O-])=O)CO[N+]([O-])=O)CCc1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of LPS/IFN-gamma induced NO-dependent iNOS activity in mouse RAW 264.7 cells incubated for 16 hrs by Griess reagent based assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM203867
(3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...)Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.60E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 15N-labeled human CFD by 1H-15N-HSQC NMR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Complement factor D
(Homo sapiens (Human)) | BDBM50546245
(CHEMBL4101312) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CFD at 100 uM by WaterLOGSY NMR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
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