Found 6 hits of ki for monomerid = 50185298 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 |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50185298
(CHEMBL3823514)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50185298
(CHEMBL3823514)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50185298
(CHEMBL3823514)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50185298
(CHEMBL3823514)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50185298
(CHEMBL3823514)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 272 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50185298
(CHEMBL3823514)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |