BDBM50174350 CHEMBL3613514

SMILES: c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=PQZOJXYSZWLDNP-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50174350   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair